! DIISOBUTYLENE AND ISO-OCTANE MECH ! dib_vaf.mech ! Wayne K. Metcalfe, William J. Pitz, Henry J. Curran, John M. Simmie, and Charles K. Westbrook, ! "The Development of a Detailed Chemical Kinetic Mechanism for Diisobutylene and Comparison to Shock Tube Ignition Times", ! Proceedings of the Combustion Institute, Vol 31, 2006. ELEMENTS H C O N AR END ! SPECIES H H2 O O2 OH H2O N2 CO HCO CO2 CH3 CH4 HO2 H2O2 CH2O CH3O C2H6 C2H4 C2H5 CH2 CH C2H C2H2 C2H3 CH3OH CH2OH CH2CO HCCO C2H5OH PC2H4OH SC2H4OH CH3CO CH2CHO CH3CHO C3H4-A C3H4-P C3H6 C4H6 NC3H7 IC3H7 C3H8 IC4H7 IC4H8 C4H7 C4H8-2 C4H8-1 SC4H9 PC4H9 TC4H9 IC4H9 IC4H10 C4H10 CH3COCH3 CH3COCH2 C2H5CHO C2H5CO C5H9 C5H10-1 C5H10-2 IC5H12 AC5H11 BC5H11 CC5H11 DC5H11 AC5H10 BC5H10 CC5H10 IC5H9 NC5H12 C5H11-1 C5H11-2 C5H11-3 NEOC5H12 NEOC5H11 C2H5O CH3O2 C2H5O2 CH3O2H C2H5O2H C2H3O1-2 CH3CO2 C2H4O1-2 C2H4O2H O2C2H4OH CH3CO3 CH3CO3H C2H3CO C2H3CHO C3H5O C3H6OOH1-2 C3H6OOH1-3 C3H6OOH2-1 C3H6OOH1-2O2 C3H6OOH1-3O2 C3H6OOH2-1O2 NC3H7O IC3H7O NC3H7O2H IC3H7O2H NC3H7O2 IC3H7O2 C3H6O1-3 IC4H8O IC4H8OH IO2C4H8OH IC4H7O C4H7O C4H8OH-1 C4H8OH-2 C4H8OH-1O2 C4H8OH-2O2 C4H8OOH1-2O2 C4H8OOH1-3O2 C4H8OOH1-4O2 C4H8OOH2-1O2 C4H8OOH2-3O2 C4H8OOH2-4O2 TC4H8OOH-IO2 IC4H8OOH-IO2 IC4H8OOH-TO2 C4H8OOH1-2 C4H8OOH1-3 C4H8OOH1-4 C4H8OOH2-1 C4H8OOH2-3 C4H8OOH2-4 IC4H8O2H-I IC4H8O2H-T TC4H8O2H-I C4H8O1-2 C4H8O1-3 C4H8O1-4 C4H8O2-3 CC4H8O PC4H9O SC4H9O IC4H9O TC4H9O PC4H9O2H SC4H9O2H IC4H9O2H TC4H9O2H TC4H9O2 IC4H9O2 SC4H9O2 PC4H9O2 CH3COCH2O2 CH3COCH2O2H CH3COCH2O NEOC5KETOX NEOC5KEJOL AC5H11O2 BC5H11O2 CC5H11O2 DC5H11O2 AC5H11O2H BC5H11O2H CC5H11O2H DC5H11O2H AC5H11O BC5H11O CC5H11O DC5H11O AC5H10OOH-A AC5H10OOH-B AC5H10OOH-C AC5H10OOH-D BC5H10OOH-A BC5H10OOH-C BC5H10OOH-D CC5H10OOH-A CC5H10OOH-B CC5H10OOH-D DC5H10OOH-A DC5H10OOH-B DC5H10OOH-C AC5H10OOH-AO2 AC5H10OOH-BO2 AC5H10OOH-CO2 AC5H10OOH-DO2 BC5H10OOH-AO2 BC5H10OOH-CO2 BC5H10OOH-DO2 CC5H10OOH-AO2 CC5H10OOH-BO2 CC5H10OOH-DO2 DC5H10OOH-AO2 DC5H10OOH-BO2 DC5H10OOH-CO2 A-AC5H10O A-BC5H10O A-CC5H10O A-DC5H10O B-CC5H10O B-DC5H10O C-DC5H10O C5H11O2-1 C5H11O2-2 C5H11O2-3 C5H11O2H-1 C5H11O2H-2 C5H11O2H-3 C5H11O-1 C5H11O-2 C5H11O-3 C5H10OOH1-2 C5H10OOH1-3 C5H10OOH1-4 C5H10OOH1-5 C5H10OOH2-1 C5H10OOH2-3 C5H10OOH2-4 C5H10OOH2-5 C5H10OOH3-2 C5H10OOH3-1 C5H10OOH1-2O2 C5H10OOH1-3O2 C5H10OOH1-4O2 C5H10OOH1-5O2 C5H10OOH2-1O2 C5H10OOH2-3O2 C5H10OOH2-4O2 C5H10OOH2-5O2 C5H10OOH3-1O2 C5H10OOH3-2O2 C5H10O1-2 C5H10O1-3 C5H10O1-4 C5H10O1-5 C5H10O2-3 C5H10O2-4 NEOC5H11O2 NEOC5H11O2H NEOC5H11O NEOC5H10OOH NEOC5H10OOH-O2 NEO-C5H10O C3H5-A C3H5-S C3H5-T C3H3 C3H2 C3H6O1-2 HO2CHO O2CHO OCHO CH2(S) C3KET12 C3KET13 C3KET21 NC4KET12 NC4KET13 NC4KET14 NC4KET21 NC4KET23 NC4KET24 IC4KETII IC4KETIT NEOC5KET NC5KET12 NC5KET13 NC5KET14 NC5KET15 NC5KET21 NC5KET23 NC5KET24 NC5KET25 NC5KET31 NC5KET32 IC5KETAA IC5KETAB IC5KETAC IC5KETAD IC5KETCA IC5KETCB IC5KETCD IC5KETDA IC5KETDB IC5KETDC IC4H7-I1 C3H6OH HOC3H6O2 O2C2H4O2H CH2O2HCHO IC4H7OOH IC3H5CHO TC3H6OCHO TC3H6CHO IC3H7CHO IC4H7OH IC3H6CO IC4H6OH IC3H5CO IC3H7CO TC3H6O2CHO TC3H6O2HCO IC3H5O2HCHO TC3H6OHCHO TC3H6OH IC3H5OH TC4H8CHO O2C4H8CHO O2HC4H8CO O2HC4H7CHO C3H5OH CH2CCH2OH NC3H7CHO NC3H7CO CH2CH2COCH3 C2H5COCH2 C2H5COCH3 CH2CHOOHCOCH3 CH3CHOOHCOCH3 CH3CHOOCOCH3 CH3CHCOCH3 C2H3COCH3 CH3CHCO CH2CH2CHO C3H6CHO-3 C3H6CHO-2 C2H5CHCO IC3H5COCH3 IC3H5COCH2 AC3H4COCH3 SC3H5COCH2 CH3CHOCHO CH3CHCHO SC3H5CHO SC3H5CO IC3H6CHO C3H6CHO-1 C2H5COC2H5 C2H5COC2H4P C2H5COC2H4S C2H5COC2H3 PC2H4COC2H3 SC2H4COC2H3 IC3H6CHCHO IC3H6CHCO AC3H5CHCHO IC3H6CHCOCH3 AC3H5CHCOCH3 IC3H6CHCOCH2 NC3H7COCH3 NC3H7COCH2 C3H6COCH3-1 C3H6COCH3-2 C3H6COCH3-3 IC3H7COCH3 IC3H7COCH2 IC3H6COCH3 TC3H6COCH3 NC3H7COC2H5 C3H6COC2H5-1 C3H6COC2H5-2 C3H6COC2H5-3 NC3H7COC2H4P NC3H7COC2H4S IC3H7COC2H5 IC3H6COC2H5 TC3H6COC2H5 IC3H7COC2H4P IC3H7COC2H4S IC3H7COC2H3 IC3H6COC2H3 TC3H6COC2H3 IC3H5COC2H5 AC3H4COC2H5 IC3H5COC2H4P IC3H5COC2H4S NC4H9CHO NC4H9CO AC3H5CHO AC3H5CO C2H3CHCHO C4H8CHO-1 C4H8CHO-2 C4H8CHO-3 C4H8CHO-4 NEOC5H9Q2 NEOC5H9Q2-N IC4H6Q2-II HOCH2O HOCHO IC6H14 AC6H13 BC6H13 CC6H13 DC6H13 EC6H13 AC6H12 BC6H12 CC6H12 DC6H12 IC6H11 AC6H13O2 BC6H13O2 CC6H13O2 DC6H13O2 EC6H13O2 AC6H13O2H BC6H13O2H CC6H13O2H DC6H13O2H EC6H13O2H AC6H13O BC6H13O CC6H13O DC6H13O EC6H13O AC6H12OOH-A AC6H12OOH-B AC6H12OOH-C AC6H12OOH-D AC6H12OOH-E BC6H12OOH-A BC6H12OOH-C BC6H12OOH-D BC6H12OOH-E CC6H12OOH-A CC6H12OOH-B CC6H12OOH-D CC6H12OOH-E DC6H12OOH-A DC6H12OOH-B DC6H12OOH-C DC6H12OOH-E EC6H12OOH-A EC6H12OOH-B EC6H12OOH-C EC6H12OOH-D A-AC6H12O A-BC6H12O A-CC6H12O A-DC6H12O A-EC6H12O B-CC6H12O B-DC6H12O B-EC6H12O C-DC6H12O C-EC6H12O D-EC6H12O AC6H12OOH-AO2 AC6H12OOH-BO2 AC6H12OOH-CO2 AC6H12OOH-DO2 AC6H12OOH-EO2 BC6H12OOH-AO2 BC6H12OOH-CO2 BC6H12OOH-DO2 BC6H12OOH-EO2 CC6H12OOH-AO2 CC6H12OOH-BO2 CC6H12OOH-DO2 CC6H12OOH-EO2 DC6H12OOH-AO2 DC6H12OOH-BO2 DC6H12OOH-CO2 DC6H12OOH-EO2 EC6H12OOH-AO2 EC6H12OOH-BO2 EC6H12OOH-CO2 EC6H12OOH-DO2 IC6KETAA IC6KETAB IC6KETAC IC6KETAD IC6KETAE IC6KETCA IC6KETCB IC6KETCD IC6KETCE IC6KETDA IC6KETDB IC6KETDC IC6KETDE IC6KETEA IC6KETEB IC6KETEC IC6KETED NC4H9CHO-2 NC4H9CO-2 C4H8CHO1-2 C4H8CHO2-2 C4H8CHO3-2 C4H8CHO4-2 IC4H9CHO IC4H9CO IC3H6CH2CHO TC3H6CH2CHO IC3H7CHCHO IC5H11CHO IC5H11CO AC5H10CHO BC5H10CHO CC5H10CHO DC5H10CHO C4H7CHO1-4 C4H7CO1-4 C4H6CHO1-43 C4H6CHO1-44 C4H7CHO2-1 C4H7CO2-1 C4H6CHO2-11 NC5H11CHO-2 NC5H11CO-2 C5H10CHO1-2 C5H10CHO2-2 C5H10CHO3-2 C5H10CHO4-2 C5H10CHO5-2 IC4H9COCH3 IC4H9COCH2 IC3H6CH2COCH3 IC3H7CHCOCH3 TC3H6CH2COCH3 NEOC6H14 FC6H13 GC6H13 HC6H13 NEOC6H12 NEOC6H11 FC6H13O2 GC6H13O2 HC6H13O2 FC6H13O2H GC6H13O2H HC6H13O2H FC6H13O GC6H13O HC6H13O FC6H12OOH-F FC6H12OOH-G FC6H12OOH-H GC6H12OOH-F GC6H12OOH-H HC6H12OOH-F HC6H12OOH-G FC6H12OOH-FO2 FC6H12OOH-GO2 FC6H12OOH-HO2 GC6H12OOH-FO2 GC6H12OOH-HO2 HC6H12OOH-FO2 HC6H12OOH-GO2 F-FC6H12O F-GC6H12O F-HC6H12O G-HC6H12O NEOC6KETFF NEOC6KETFG NEOC6KETFH NEOC6KETGF NEOC6KETGH NEOC6KETHF NEOC6KETHG TC4H9CHO TC4H9CO NEOC5H11CHO NEOC5H11CO TC4H9CHCHO TC4H8CH2CHO IC4H7CHO IC4H7CO AC3H4CH2CHO IC3H5CHCHO IC5H11CHO-B IC5H11CO-B IC5H10CHO-BA IC5H10CHO-BC IC5H10CHO-BD C4H7CHO1-2 C4H7CO1-2 C4H6CHO1-23 C4H6CHO1-24 C4H7CHO2-2 C4H7CO2-2 C4H6CHO2-21 C4H6CHO2-24 CH2CCHCH3 TC4H9COCH3 TC4H9COCH2 TC4H8COCH3 CH2CCHO C7H162-4 XC7H15 YC7H15 ZC7H15 XC7H14 YC7H14 XC7H13 XC7H15O2 YC7H15O2 ZC7H15O2 XC7H15O2H YC7H15O2H ZC7H15O2H XC7H15O YC7H15O ZC7H15O XC7H14OOH-X1 XC7H14OOH-Y1 XC7H14OOH-Z XC7H14OOH-Y2 XC7H14OOH-X2 YC7H14OOH-X1 YC7H14OOH-Z YC7H14OOH-Y2 YC7H14OOH-X2 ZC7H14OOH-X ZC7H14OOH-Y XC7H14OOH-X1O2 XC7H14OOH-X2O2 XC7H14OOH-Y1O2 XC7H14OOH-Y2O2 XC7H14OOH-ZO2 YC7H14OOH-X1O2 YC7H14OOH-X2O2 YC7H14OOH-Y2O2 YC7H14OOH-ZO2 ZC7H14OOH-XO2 ZC7H14OOH-YO2 X-X1C7H14O X-X2C7H14O X-Y1C7H14O X-Y2C7H14O X-ZC7H14O Y-YC7H14O Y-ZC7H14O C7KET24XX1 C7KET24XY1 C7KET24XZ C7KET24XY2 C7KET24XX2 C7KET24ZX C7KET24ZY NEOC7H16 NC7H15 OC7H15 PC7H15 QC7H15 OC7H14 PC7H14 PC7H13 NC7H15O2 OC7H15O2 PC7H15O2 QC7H15O2 NC7H15O2H OC7H15O2H PC7H15O2H QC7H15O2H NC7H15O OC7H15O PC7H15O QC7H15O NC7H14OOH-N2 NC7H14OOH-Q QC7H14OOH-N NC7H14OOH-O NC7H14OOH-P QC7H14OOH-O QC7H14OOH-P OC7H14OOH-N OC7H14OOH-Q PC7H14OOH-N PC7H14OOH-Q OC7H14OOH-P PC7H14OOH-O NC7H14OOH-N2O2 NC7H14OOH-QO2 QC7H14OOH-NO2 NC7H14OOH-OO2 NC7H14OOH-PO2 QC7H14OOH-OO2 QC7H14OOH-PO2 OC7H14OOH-NO2 OC7H14OOH-QO2 PC7H14OOH-NO2 PC7H14OOH-QO2 OC7H14OOH-PO2 PC7H14OOH-OO2 N-NC7H14O N-OC7H14O N-PC7H14O N-QC7H14O O-PC7H14O O-QC7H14O P-QC7H14O NEOC7KETNN NEOC7KETNO NEOC7KETNP NEOC7KETNQ NEOC7KETON NEOC7KETOP NEOC7KETOQ NEOC7KETPN NEOC7KETPO NEOC7KETPQ NEOC7KETQN NEOC7KETQO NEOC7KETQP IC8H18 AC8H17 BC8H17 CC8H17 DC8H17 IC8H16 JC8H16 IC8H14 !IC8H15 AC8H17O2 BC8H17O2 CC8H17O2 DC8H17O2 AC8H17O2H BC8H17O2H CC8H17O2H DC8H17O2H AC8H17O BC8H17O CC8H17O DC8H17O AC8H16OOH-A AC8H16OOH-B AC8H16OOH-C AC8H16OOH-D BC8H16OOH-C BC8H16OOH-A BC8H16OOH-D CC8H16OOH-D CC8H16OOH-B CC8H16OOH-A DC8H16OOH-C DC8H16OOH-D DC8H16OOH-B DC8H16OOH-A IC8ETERAA IC8ETERAB IC8ETERAC IC8ETERAD IC8ETERBC IC8ETERBD IC8ETERCD IC8ETERDD AC8H16OOH-AO2 AC8H16OOH-BO2 AC8H16OOH-CO2 AC8H16OOH-DO2 BC8H16OOH-CO2 BC8H16OOH-AO2 BC8H16OOH-DO2 CC8H16OOH-DO2 CC8H16OOH-BO2 CC8H16OOH-AO2 DC8H16OOH-CO2 DC8H16OOH-DO2 DC8H16OOH-BO2 DC8H16OOH-AO2 IC8KETAA IC8KETAB IC8KETAC IC8KETAD IC8KETBA IC8KETBC IC8KETBD IC8KETDA IC8KETDB IC8KETDC IC8KETDD IC6H13CHO-B IC6H13CO-B AC6H12CHO-B CC6H12CHO-B DC6H12CHO-B EC6H12CHO-B IC6H13CHO-D IC6H13CO-D AC6H12CHO-D BC6H12CHO-D CC6H12CHO-D DC6H12CHO-D EC6H12CHO-D IC3H7COC3H7-I IC3H7COC3H6-I IC3H7COC3H6-T TC4H9COC2H5 TC4H8COC2H5 TC4H9COC2H4S TC4H9COC2H4P NEOC5H11COCH3 NEOC5H10COCH3 TC4H9CHCOCH3 NEOC5H11COCH2 NEOC6H13CHO NEOC6H13CO FC6H12CHO GC6H12CHO HC6H12CHO IC4H7COCH3 IC4H7COCH2 IC3H5CHCOCH3 AC3H4CH2COCH3 XC7H13OOH-X1 XC7H13O-X1 YC7H13OOH-X1 YC7H13O-X1 OC7H13OOH-N OC7H13O-N XC7H13OOH-Z XC7H13O-Z PC7H13OOH-O PC7H13O-O OC7H13OOH-Q OC7H13O-Q YC7H13OOH-X2 YC7H13O-X2 AC3H5OOH NEOC6H11-H CC6H11O-B XC7H14OH-Y YC7H14OH-X ZC7H14OH-Y YC7H14OH-Z IC4H7OH-I1 OC7H14OH-P PC7H14OH-O QC7H14OH-P PC7H14OH-Q XC7H14OH-YO2 XC7H14O-YO2H YC7H14OH-XO2 YC7H14O-XO2H ZC7H14OH-YO2 ZC7H14O-YO2H YC7H14OH-ZO2 YC7H14O-ZO2H OC7H14OH-PO2 OC7H14O-PO2H PC7H14OH-OO2 PC7H14O-OO2H QC7H14OH-PO2 QC7H14O-PO2H PC7H14OH-QO2 PC7H14O-QO2H CC8H16OH-B BC8H16OH-C CC8H16OH-D DC8H16OH-C CC8H16OH-BO2 CC8H16O-BO2H BC8H16OH-CO2 BC8H16O-CO2H CC8H16OH-DO2 CC8H16O-DO2H DC8H16OH-CO2 DC8H16O-CO2H ! DIISOBUTYLENE SPECIES: !JC8H16 IC8H16 JC8H15-A JC8H15-D JC8H15-B !NOTE: JC8H15-B=IC8H15-D, DUE TO RESONANCE. WE ASSUME THEY ARE THE SAME STRUCTURE. IC8H15-A JC8H15O-B JC8H15O-D IC8H15O-D XC7H13-Y2 YC7H13-Y2 DMPD13 DMPD13-B DMPD13-E NEOC5C2H3 NEOC5H11CCH2 TC4H9CHCCH3 MPT124 MPT124J DMPD13-E DMPD13OH DMPD13OHE DMPD13O DMPD13HO DMPD13CO DMBD13-D DMPDBO M4PD12-D M4PD12O PD12CO PD12CO-E M4PE2CO-A DMPDBHO DMPDBCO MP1CO-C MP1OCO C(CO)2 C(CO)2-A COIC4H7 OH* CH* C C2 AR END REACTIONS CAL/MOLE CH3+H(+M) = CH4(+M) 2.138E+15 -0.40 0.000E+00 ! REV / 1.054E+21 -1.40 1.079E+05 / LOW / 3.310E+30 -4.00 2108. / TROE/0.0 1.E-15 1.E-15 40./ H2/2/ H2O/5/ CO/2/ CO2/3/ CH4+H = CH3+H2 1.727E+04 3.00 8.224E+03 REV / 6.610E+02 3.00 7.744E+03 / CH4+OH = CH3+H2O 1.930E+05 2.40 2.106E+03 REV / 4.820E+02 2.90 1.486E+04 / CH4+O = CH3+OH 2.130E+06 2.21 6.480E+03 REV / 3.557E+04 2.21 3.920E+03 / C2H6+CH3 = C2H5+CH4 1.510E-07 6.00 6.047E+03 REV / 9.649E-10 6.56 1.022E+04 / HCO+OH = CO+H2O 1.020E+14 0.00 0.000E+00 REV / 2.896E+15 0.00 1.052E+05 / CO+OH = CO2+H 1.400E+05 1.95 -1.347E+03 REV / 1.568E+07 1.95 2.099E+04 / H+O2 = O+OH 1.970E+14 0.00 1.654E+04 REV / 1.555E+13 0.00 4.250E+02 / O+H2 = H+OH 5.080E+04 2.67 6.292E+03 REV / 2.231E+04 2.67 4.197E+03 / O+H2O = OH+OH 2.970E+06 2.02 1.340E+04 REV / 3.013E+05 2.02 -3.850E+03 / OH+H2 = H+H2O 2.160E+08 1.51 3.430E+03 REV / 9.352E+08 1.51 1.858E+04 / HCO+M = H+CO+M 1.860E+17 -1.00 1.700E+04 REV / 6.467E+13 0.00 -4.420E+02 / H2O2+OH = H2O+HO2 1.000E+12 0.00 0.000E+00 REV / 1.685E+11 0.33 3.146E+04 / DUPLICATE C2H4+O = CH3+HCO 1.020E+07 1.88 1.790E+02 REV / 2.851E+08 1.05 3.177E+04 / H+C2H4(+M) = C2H5(+M) 1.081E+12 0.45 1.822E+03 ! REV / 3.587E+14 -0.34 3.957E+04 / LOW / 1.112E+34 -5.00 4.448E+03 / TROE/1.0 1.000E-15 9.500E+01 2.000E+02/ H2/2/ H2O/5/ CO/2/ CO2/3/ CH3OH(+M) = CH3+OH(+M) 1.900E+16 0.00 9.173E+04 ! REV / 9.181E+10 1.00 7.450E+02 / LOW / 2.95E+44 -7.35 9.546E+04 / TROE/0.414 279. 5459. 1.00E+10/ H2/2/ H2O/16/ CO/2/ CO2/3/ C2H6+H = C2H5+H2 5.540E+02 3.50 5.167E+03 REV / 1.355E-01 4.06 8.857E+03 / CH3OH+HO2 = CH2OH+H2O2 3.980E+13 0.00 1.940E+04 REV / 3.130E+15 -0.90 1.075E+04 / C2H5+O2 = C2H4+HO2 1.220E+30 -5.76 1.010E+04 REV / 1.259E+30 -5.63 2.231E+04 / C2H6+OH = C2H5+H2O 5.125E+06 2.06 8.550E+02 REV / 1.010E+07 2.06 2.298E+04 / C2H6+O = C2H5+OH 1.130E+14 0.00 7.850E+03 REV / 2.080E+13 0.00 1.272E+04 / CH3+HO2 = CH3O+OH 1.100E+13 0.00 0.000E+00 REV / 4.780E+14 -0.35 2.455E+04 / CO+HO2 = CO2+OH 3.010E+13 0.00 2.300E+04 REV / 6.435E+15 -0.33 8.461E+04 / CH3+CH3(+M) = C2H6(+M) 9.214E+16 -1.17 6.358E+02 ! REV / 4.709E+21 -1.70 8.741E+04 / LOW / 1.135E+36 -5.246 1.705E+03 / TROE/0.405 1120. 69.6 1.E+15/ H2/2/ H2O/5/ CO/2/ CO2/3/ H2O+M = H+OH+M 1.837E+27 -3.00 1.226E+05 REV/ 2.250E+22 -2.00 0.000E+00 / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ H+O2(+M) = HO2(+M) 1.475E+12 0.60 0.000E+00 ! REV/ 5.053E+14 -0.07 4.996E+04 / LOW/ 3.500E+16 -0.41 -1.1160E+03 / TROE/5.0000E-01 1.0000E-30 1.0000E+30 1.00E+10/ H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ CO+O(+M) = CO2(+M) 1.800E+10 0.00 2.384E+03 ! REV/ 1.670E+16 -1.00 1.301E+05 / LOW/ 1.350E+24 -2.788 4191. / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ CO+O2 = CO2+O 1.068E-15 7.13 1.332E+04 REV / 9.444E-15 7.13 1.954E+04 / HCO+H = CO+H2 7.340E+13 0.00 0.000E+00 REV / 4.813E+14 0.00 9.000E+04 / HCO+O = CO+OH 3.020E+13 0.00 0.000E+00 REV / 8.697E+13 0.00 8.790E+04 / CH2O+M = HCO+H+M 6.283E+29 -3.57 9.320E+04 REV / 2.660E+24 -2.57 4.270E+02 / CH2O+OH = HCO+H2O 3.430E+09 1.18 -4.470E+02 REV / 1.186E+09 1.18 2.938E+04 / CH2O+H = HCO+H2 9.334E+08 1.50 2.976E+03 REV / 7.453E+07 1.50 1.765E+04 / CH2O+O = HCO+OH 4.160E+11 0.57 2.762E+03 REV / 1.459E+10 0.57 1.534E+04 / CH3+OH = CH2O+H2 2.250E+13 0.00 4.300E+03 REV / 6.756E+14 0.00 7.603E+04 / CH3+O = CH2O+H 8.000E+13 0.00 0.000E+00 REV / 1.055E+15 0.00 6.963E+04 / CH3+O2 = CH3O+O 1.995E+18 -1.57 2.921E+04 REV / 3.585E+18 -1.59 -1.631E+03 / CH2O+CH3 = HCO+CH4 3.636E-06 5.42 9.980E+02 REV / 7.584E-06 5.42 1.615E+04 / HCO+CH3 = CH4+CO 1.210E+14 0.00 0.000E+00 REV / 2.073E+16 0.00 9.048E+04 / CH3O(+M) = CH2O+H(+M) 5.450E+13 0.00 1.350E+04 ! REV / 3.812E+09 1.02 -7.489E+03 / LOW / 2.344E+25 -2.7 3.060E+04 / C2H4(+M) = C2H2+H2(+M) 1.800E+13 0.00 7.600E+04 ! REV / 1.877E+11 0.17 3.478E+04 / LOW / 1.500E+15 0.00 5.5443E+04 / HO2+O = OH+O2 3.250E+13 0.00 0.000E+00 REV / 7.857E+14 -0.33 5.539E+04 / HCO+HO2 = CH2O+O2 2.974E+10 0.33 -3.861E+03 REV / 2.050E+13 0.00 3.895E+04 / CH3O+O2 = CH2O+HO2 5.500E+10 0.00 2.424E+03 REV / 1.318E+09 0.35 3.139E+04 / CH3+HO2 = CH4+O2 3.600E+12 0.00 0.000E+00 REV / 5.177E+15 -0.33 5.796E+04 / HCO+O2 = CO+HO2 7.580E+12 0.00 4.100E+02 REV / 9.029E+11 0.33 3.293E+04 / HO2+H = OH+OH 7.080E+13 0.00 3.000E+02 REV / 1.352E+14 -0.33 3.957E+04 / HO2+H = H2+O2 1.660E+13 0.00 8.200E+02 REV / 9.138E+14 -0.33 5.830E+04 / HO2+OH = H2O+O2 2.890E+13 0.00 -5.000E+02 REV / 6.888E+15 -0.33 7.214E+04 / H2O2+O2 = HO2+HO2 5.942E+17 -0.66 5.315E+04 REV / 4.200E+14 0.00 1.198E+04 / DUPLICATE OH+OH(+M) = H2O2(+M) 1.236E+14 -.37 0.000E+00 ! REV / 3.138E+19 -1.37 5.186E+04 / LOW / 3.041E+30 -4.63 2049. / TROE /0.47 100. 2000. 1.0E+15/ H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ H2O2+H = H2O+OH 2.410E+13 0.00 3.970E+03 REV / 7.750E+12 0.00 7.471E+04 / CH4+HO2 = CH3+H2O2 3.420E+11 0.00 1.929E+04 REV / 3.365E+11 -0.33 2.502E+03 / CH2O+HO2 = HCO+H2O2 5.820E-03 4.53 6.557E+03 REV / 1.194E-02 4.20 4.921E+03 / OH+M = O+H+M 3.909E+22 -2.00 1.053E+05 REV / 4.720E+18 -1.00 0.000E+00 / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ O2+M = O+O+M 6.473E+20 -1.50 1.215E+05 REV / 6.170E+15 -0.50 0.000E+00 / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ H2+M = H+H+M 4.570E+19 -1.40 1.044E+05 REV/ 2.423E+15 -0.40 -3.040E+03 / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ C2H3+H(+M) = C2H4(+M) 6.100E+12 0.27 2.800E+02 ! REV/ 1.692E+15 0.10 1.071E+05 / LOW / 9.800E+29 -3.86 3.320E+03 / TROE /0.782 208. 2663. 6095./ C2H5+C2H3 = C2H4+C2H4 3.000E+12 0.00 0.000E+00 REV/ 4.820E+14 0.00 7.153E+04 / C2H2+H(+M) = C2H3(+M) 3.110E+11 0.58 2.589E+03 ! REV/ 2.028E+15 -0.42 4.446E+04 / LOW/ 2.254E+40 -7.269 6577. / TROE/ 1.0 1.E-15 675. 1.E+15/ H2/2/ H2O/5/ CO/2/ CO2/3/ C2H4+H = C2H3+H2 8.420E-03 4.62 2.583E+03 REV / 5.723E-01 3.79 3.233E+03 / C2H4+OH = C2H3+H2O 2.020E+13 0.00 5.955E+03 REV / 1.015E+13 0.00 2.022E+04 / C2H3+O2 = C2H2+HO2 5.190E-15 -1.26 3.310E+03 REV / 2.727E-16 -0.93 1.140E+04 / DUPLICATE C2H2+M = C2H+H+M 4.200E+16 0.00 1.070E+05 REV / 7.130E+07 2.08 -2.891E+04 / C2H2+O2 = HCCO+OH 2.000E+08 1.50 3.010E+04 REV / 2.232E+05 1.50 2.540E+04 / CH2+O2 = CO+H2O 7.280E+19 -2.54 1.809E+03 REV / 8.508E+20 -2.54 1.798E+05 / C2H2+OH = C2H+H2O 3.370E+07 2.00 1.400E+04 REV / 4.671E+03 3.08 6.850E+02 / O+C2H2 = C2H+OH 3.160E+15 -0.60 1.500E+04 REV / 4.443E+10 0.48 -1.557E+04 / C2H2+O = CH2+CO 6.120E+06 2.00 1.900E+03 REV / 1.152E+06 2.00 5.257E+04 / C2H+O2 = HCO+CO 2.410E+12 0.00 0.000E+00 REV / 1.328E+16 -1.08 1.541E+05 / C2H+O = CO+CH 1.810E+13 0.00 0.000E+00 REV / 7.478E+16 -1.08 8.213E+04 / CH2+O2 = HCO+OH 1.290E+20 -3.30 2.840E+02 REV / 5.310E+19 -3.30 7.317E+04 / CH2+O = CO+H+H 5.000E+13 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / CH2+H = CH+H2 1.000E+18 -1.56 0.000E+00 REV / 7.026E+17 -1.56 2.990E+03 / CH2+OH = CH+H2O 1.130E+07 2.00 3.000E+03 REV / 3.437E+07 2.00 2.115E+04 / CH2+O2 = CO2+H+H 3.290E+21 -3.30 2.868E+03 REV / 0.000E+00 0.00 0.000E+00 / CH+O2 = HCO+O 3.300E+13 0.00 0.000E+00 REV / 4.402E+13 0.00 7.199E+04 / CH3OH+OH = CH2OH+H2O 7.100E+06 1.80 -5.960E+02 REV / 3.293E+01 3.46 2.272E+04 / CH3OH+H = CH3O+H2 3.600E+12 0.00 6.095E+03 REV / 7.467E+12 -0.02 7.825E+03 / CH3OH+H = CH2OH+H2 1.440E+13 0.00 6.095E+03 REV / 1.543E+07 1.66 1.425E+04 / CH3OH+CH3 = CH2OH+CH4 3.190E+01 3.17 7.172E+03 REV / 8.927E-04 4.83 1.581E+04 / CH3OH+O = CH2OH+OH 3.880E+05 2.50 3.080E+03 REV / 4.960E+03 2.50 8.781E+03 / CH2OH+O2 = CH2O+HO2 3.810E+06 2.00 1.641E+03 REV / 1.768E+11 0.67 2.418E+04 / CH2OH(+M) = CH2O+H(+M) 2.800E+14 -0.73 3.282E+04 ! REV / 3.792E+16 -1.39 5.402E+03 / LOW / 6.010E+33 -5.39 3.620E+04 / TROE/ 0.96 67.6 1855. 7543./ C2H3+O2 = C2H2+HO2 2.120E-06 6.00 9.484E+03 REV / 1.114E-07 6.33 1.757E+04 / DUPLICATE H2O2+O = OH+HO2 9.550E+06 2.00 3.970E+03 REV / 2.541E+07 1.68 1.985E+04 / C2H2+O = HCCO+H 1.430E+07 2.00 1.900E+03 REV / 2.021E+05 2.00 1.331E+04 / C2H2+OH = CH2CO+H 2.190E-04 4.50 -1.000E+03 REV / 2.161E-03 4.50 1.967E+04 / CH2CO+H = CH3+CO 1.100E+13 0.00 3.400E+03 REV / 2.400E+12 0.00 4.020E+04 / CH2CO+O = CH2+CO2 1.750E+12 0.00 1.350E+03 REV / 3.739E+12 0.00 5.369E+04 / CH2+O2 = CH2O+O 3.290E+21 -3.30 2.868E+03 REV / 3.862E+22 -3.30 6.318E+04 / CH2CO(+M) = CH2+CO(+M) 3.000E+14 0.00 7.098E+04 ! REV / 6.909E+08 1.00 -4.360E+03 / LOW / 3.600E+15 0.00 5.927E+04 / CH2CO+O = HCCO+OH 1.000E+13 0.00 8.000E+03 REV / 1.432E+10 0.00 -1.255E+03 / CH2CO+OH = HCCO+H2O 1.000E+13 0.00 2.000E+03 REV / 1.412E+11 0.00 9.995E+03 / CH2CO+H = HCCO+H2 2.000E+14 0.00 8.000E+03 REV / 6.522E+11 0.00 8.400E+02 / HCCO+OH = HCO+HCO 1.000E+13 0.00 0.000E+00 REV / 4.820E+13 0.00 4.036E+04 / HCCO+H = CH2(S)+CO 1.100E+14 0.00 0.000E+00 REV / 6.660E+13 0.00 3.926E+04 / HCCO+O = H+CO+CO 8.000E+13 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C2H6+O2 = C2H5+HO2 4.000E+13 0.00 5.090E+04 REV / 3.000E+11 0.00 0.000E+00 / C2H6+HO2 = C2H5+H2O2 1.700E+13 0.00 2.046E+04 REV / 1.069E+11 0.24 7.842E+03 / CH2+O2 = CO2+H2 1.010E+21 -3.30 1.508E+03 REV / 3.054E+23 -3.30 1.867E+05 / CH3+C2H3 = CH4+C2H2 3.920E+11 0.00 0.000E+00 REV / 2.962E+13 0.00 6.605E+04 / CH3+C2H5 = CH4+C2H4 1.950E+13 -0.50 0.000E+00 REV / 2.895E+16 -0.70 7.017E+04 / CH3OH+CH2O = CH3O+CH3O 3.835E+13 0.05 8.472E+04 REV / 6.030E+13 0.00 0.000E+00 / CH2O+CH3O = CH3OH+HCO 1.150E+11 0.00 1.280E+03 REV / 3.020E+11 0.00 1.816E+04 / CH4+CH3O = CH3+CH3OH 1.570E+11 0.00 8.842E+03 REV / 1.046E+09 0.00 5.000E+04 / C2H6+CH3O = C2H5+CH3OH 3.000E+11 0.00 7.000E+03 REV / 1.714E+10 0.00 5.000E+04 / C2H3+H = C2H2+H2 2.000E+13 0.00 2.500E+03 REV / 1.331E+13 0.00 6.808E+04 / CH3O+CH3OH = CH2OH+CH3OH 3.000E+11 0.00 4.074E+03 REV / 1.549E+05 1.68 1.050E+04 / CH3OH+OH = CH3O+H2O 1.000E+06 2.10 4.967E+02 REV / 8.981E+06 2.08 1.738E+04 / C2H5+H = CH3+CH3 3.610E+13 0.00 0.000E+00 REV / 5.446E+16 -1.03 1.698E+04 / C2H3+O2 = CH2O+HCO 1.700E+29 -5.31 6.500E+03 REV / 1.657E+29 -5.31 9.305E+04 / C2H6 = C2H5+H 2.783E+21 -1.56 1.038E+05 REV / 3.610E+13 0.00 0.000E+00 / C2H5OH(+M) = CH2OH+CH3(+M) 5.710E+23 -1.68 9.441E+04 ! REV / 1.307E+17 -0.49 9.163E+03 / LOW / 3.110E+85 -18.84 1.1310E+05 / TROE/ 0.5 550. 825. 6100./ H2/2/ H2O/5/ CO/2/ CO2/3/ C2H5OH(+M) = C2H5+OH(+M) 2.400E+23 -1.62 9.954E+04 ! REV / 3.097E+18 -1.06 5.610E+03 / LOW / 5.110E+85 -18.80 1.1877E+05 / TROE/ 0.5 650. 800. 1.0E+15/ H2/2/ H2O/5/ CO/2/ CO2/3/ C2H5OH(+M) = C2H4+H2O(+M) 2.790E+13 0.09 6.614E+04 ! REV / 8.858E+10 0.45 5.706E+04 / LOW / 2.570E+83 -18.85 8.6453E+04 / TROE/ 0.7 350. 800. 3800./ H2O/5/ C2H5OH(+M) = CH3CHO+H2(+M) 7.240E+11 0.10 9.101E+04 ! REV / 2.342E+08 0.77 7.357E+04 / LOW / 4.460E+87 -19.42 1.1559E+05 / TROE/ 0.9 900. 1100. 3500./ H2O/5/ C2H5OH+O2 = PC2H4OH+HO2 2.000E+13 0.00 5.280E+04 REV / 3.470E+08 0.32 -1.105E+03 / C2H5OH+O2 = SC2H4OH+HO2 1.500E+13 0.00 5.015E+04 REV / 1.870E+11 0.09 3.856E+03 / C2H5OH+OH = PC2H4OH+H2O 1.740E+11 0.27 6.000E+02 REV / 7.196E+08 0.26 1.933E+04 / C2H5OH+OH = SC2H4OH+H2O 4.640E+11 0.15 0.000E+00 REV / 1.378E+12 -0.08 2.635E+04 / C2H5OH+H = PC2H4OH+H2 1.230E+07 1.80 5.098E+03 REV / 1.175E+04 1.79 8.677E+03 / C2H5OH+H = SC2H4OH+H2 2.580E+07 1.65 2.827E+03 REV / 1.770E+07 1.42 1.402E+04 / C2H5OH+HO2 = PC2H4OH+H2O2 1.230E+04 2.55 1.575E+04 REV / 3.019E+02 2.21 3.021E+03 / C2H5OH+HO2 = SC2H4OH+H2O2 8.200E+03 2.55 1.075E+04 REV / 1.446E+05 1.99 5.632E+03 / C2H5OH+HO2 = C2H5O+H2O2 2.500E+12 0.00 2.400E+04 REV / 1.514E+14 -1.80 3.800E+04 / C2H5OH+O = PC2H4OH+OH 9.410E+07 1.70 5.459E+03 REV / 3.947E+04 1.69 6.943E+03 / C2H5OH+O = SC2H4OH+OH 1.880E+07 1.85 1.824E+03 REV / 5.665E+06 1.62 1.092E+04 / C2H5OH+CH3 = PC2H4OH+CH4 1.330E+02 3.18 9.362E+03 REV / 3.319E+00 3.17 1.342E+04 / C2H5OH+CH3 = SC2H4OH+CH4 4.440E+02 2.90 7.690E+03 REV / 7.958E+03 2.67 1.936E+04 / C2H5OH+C2H5 = PC2H4OH+C2H6 5.000E+10 0.00 1.340E+04 REV / 6.995E+10 0.00 2.699E+04 / C2H5OH+C2H5 = SC2H4OH+C2H6 5.000E+10 0.00 1.040E+04 REV / 6.995E+10 0.00 2.399E+00 / PC2H4OH = C2H4+OH 1.293E+12 -0.37 2.685E+04 REV / 9.930E+11 0.00 -9.600E+02 / SC2H4OH+M = CH3CHO+H+M 1.000E+14 0.00 2.500E+04 REV / 4.714E+10 0.91 -3.630E+03 / C2H4+CH3 = C2H3+CH4 6.620E+00 3.70 9.500E+03 REV / 1.440E+00 4.02 5.472E+03 / CH3CO(+M) = CH3+CO(+M) 3.000E+12 0.00 1.672E+04 ! REV / 9.623E+11 -0.13 9.778E+03 / LOW / 1.200E+15 0.00 1.2518E+04 / CH3CHO = CH3+HCO 2.614E+15 0.15 8.055E+04 REV / 2.000E+13 0.00 0.000E+00 / CH3CHO+O2 = CH3CO+HO2 3.010E+13 0.00 3.915E+04 REV / 8.552E+10 0.32 -1.940E+03 / CH3CHO+OH = CH3CO+H2O 2.000E+06 1.80 1.300E+03 REV / 1.354E+06 1.79 3.285E+04 / CH3CHO+H = CH3CO+H2 1.340E+13 0.00 3.300E+03 REV / 2.096E+12 -0.01 1.969E+04 / CH3CHO+O = CH3CO+OH 5.940E+12 0.00 1.868E+03 REV / 4.080E+11 -0.01 1.617E+04 / CH3CHO+HO2 = CH3CO+H2O2 3.010E+12 0.00 1.193E+04 REV / 1.210E+13 -0.34 1.201E+04 / CH3CHO+CH3 = CH3CO+CH4 2.608E+06 1.78 5.911E+03 REV / 1.066E+07 1.77 2.279E+04 / C3H5-S = C2H2+CH3 9.598E+39 -8.17 4.203E+04 REV / 1.610E+40 -8.58 2.033E+04 / C2H2+CH3 = C3H4-P+H 1.211E+17 -1.20 1.668E+04 REV / 1.000E+14 0.00 4.000E+03 / C3H5-A = C2H2+CH3 2.397E+48 -9.90 8.208E+04 REV / 2.610E+46 -9.82 3.695E+04 / C3H6 = C2H3+CH3 2.730E+62 -13.28 1.232E+05 REV / 4.712E+59 -13.19 2.954E+04 / C2H2+CH3 = C3H4-A+H 6.740E+19 -2.08 3.159E+04 REV / 1.149E+16 -0.70 1.579E+04 / IC4H8 = C3H5-T+CH3 1.920E+66 -14.22 1.281E+05 REV/ 7.836E+55 -12.29 2.634E+04 / IC4H8 = IC4H7+H 3.070E+55 -11.49 1.143E+05 REV/ 7.171E+54 -11.74 2.601E+04 / IC4H8+H = C3H6+CH3 5.680E+33 -5.72 2.000E+04 REV/ 3.062E+26 -4.21 2.721E+04 / IC4H8+H = IC4H7+H2 3.400E+05 2.50 2.492E+03 REV/ 3.171E+04 2.53 1.777E+04 / IC4H8+O = CH2CO+CH3+CH3 3.330E+07 1.76 7.600E+01 REV/ 0.000E+00 0.00 0.000E+00 / IC4H8+O = IC3H6CO+H+H 1.660E+07 1.76 7.600E+01 REV/ 0.000E+00 0.00 0.000E+00 / IC4H8+O = IC4H7+OH 1.206E+11 0.70 7.633E+03 REV/ 5.904E+09 0.71 2.150E+04 / IC4H8+CH3 = IC4H7+CH4 4.420E+00 3.50 5.675E+03 REV/ 3.763E+02 3.08 2.250E+04 / IC4H8+HO2 = IC4H7+H2O2 1.928E+04 2.60 1.391E+04 REV/ 1.041E+06 1.93 1.319E+04 / IC4H8+O2CHO = IC4H7+HO2CHO 1.928E+04 2.60 1.391E+04 REV/ 6.514E-07 4.90 -3.468E+03 / IC4H8+O2 = IC4H7+HO2 6.000E+12 0.00 3.990E+04 REV/ 2.936E+12 -0.32 4.930E+02 / IC4H8+C3H5-A = IC4H7+C3H6 7.940E+11 0.00 2.050E+04 REV/ 4.400E+20 -1.33 6.061E+04 / IC4H8+C3H5-S = IC4H7+C3H6 7.940E+11 0.00 2.050E+04 REV/ 5.592E+20 -1.27 8.217E+04 / IC4H8+C3H5-T = IC4H7+C3H6 7.940E+11 0.00 2.050E+04 REV/ 5.592E+20 -1.27 8.017E+04 / IC4H8+OH = IC4H7+H2O 5.200E+06 2.00 -2.980E+02 REV/ 5.160E+06 1.92 2.988E+04 / IC4H8+O = IC3H7+HCO 1.580E+07 1.76 -1.216E+03 REV/ 2.296E+00 3.06 2.171E+04 / IC4H8+CH3O2 = IC4H7+CH3O2H 1.928E+04 2.60 1.391E+04 REV/ 2.025E+07 1.49 1.160E+04 / IC4H8+HO2 = IC4H8O+OH 1.290E+12 0.00 1.334E+04 REV/ 1.000E+12 0.00 7.500E+03 / IC4H7+O2 = IC3H5CHO+OH 2.470E+13 -0.45 2.302E+04 REV/ 3.372E+13 -0.58 7.343E+04 / IC4H7+O2 = CH3COCH2+CH2O 7.140E+15 -1.21 2.105E+04 REV/ 1.700E+12 -0.41 8.866E+04 / IC4H7+O2 = C3H4-A+CH2O+OH 7.290E+29 -5.71 2.145E+04 REV/ 0.000E+00 0.00 0.000E+00 / IC4H7+O = IC3H5CHO+H 6.030E+13 0.00 0.000E+00 REV/ 2.876E+16 -0.52 6.714E+04 / IC4H7 = C3H4-A+CH3 1.230E+47 -9.74 7.426E+04 REV/ 1.132E+38 -7.76 2.382E+04 / CH3O2+IC4H7 = CH3O+IC4H7O 7.000E+12 0.00 -1.000E+03 REV/ 2.138E+11 0.35 1.547E+04 / IC4H7+HO2 = IC4H7O+OH 7.000E+12 0.00 -1.000E+03 REV/ 3.418E+12 0.05 1.123E+04 / IC4H7O = C3H5-T+CH2O 2.925E+21 -2.39 3.537E+04 REV/ 1.000E+11 0.00 1.260E+04 / IC4H7O = IC4H6OH 1.391E+11 0.00 1.560E+04 REV/ 4.233E+11 -0.16 3.167E+04 / IC4H7O = IC3H5CHO+H 5.000E+13 0.00 2.910E+04 REV/ 6.673E+13 -0.11 1.841E+04 / IC4H6OH+H2 = IC4H7OH+H 2.160E+04 2.38 1.899E+04 REV/ 5.614E+02 2.98 1.399E+03 / IC4H6OH+HO2 = IC4H7OH+O2 5.570E+13 -0.31 8.620E+02 REV/ 6.000E+13 0.00 3.990E+04 / IC4H6OH+CH2O = IC4H7OH+HCO 6.300E+08 1.90 1.819E+04 REV/ 2.101E+07 2.15 1.773E+04 / IC4H6OH+IC4H8 = IC4H7OH+IC4H7 4.700E+02 3.30 1.984E+04 REV/ 2.814E-01 3.90 6.521E+03 / IC4H7OH = IC4H6OH+H 4.902E+16 -0.40 8.985E+04 REV/ 1.000E+14 0.00 0.000E+00 / IC4H7OH+HO2 = IC4H6OH+H2O2 7.644E+03 2.71 1.393E+04 REV/ 7.830E+05 2.05 1.358E+04 / IC4H6OH = C3H4-A+CH2OH 1.055E+20 -1.87 5.618E+04 REV/ 1.000E+11 0.00 9.200E+03 / IC4H7O+O2 = IC3H5CHO+HO2 3.000E+10 0.00 1.649E+03 REV/ 6.312E+10 -0.14 3.898E+04 / IC4H7O+HO2 = IC3H5CHO+H2O2 3.000E+11 0.00 0.000E+00 REV/ 8.930E+14 -0.80 7.850E+04 / IC4H7O+CH3 = IC3H5CHO+CH4 2.400E+13 0.00 0.000E+00 REV/ 7.261E+16 -0.47 9.529E+04 / IC4H7O+O = IC3H5CHO+OH 6.000E+12 0.00 0.000E+00 REV/ 3.052E+14 -0.47 9.272E+04 / IC4H7O+OH = IC3H5CHO+H2O 1.810E+13 0.00 0.000E+00 REV/ 9.076E+15 -0.47 1.100E+05 / IC4H7O+H = IC3H5CHO+H2 1.990E+13 0.00 0.000E+00 REV/ 2.305E+15 -0.47 9.481E+04 / IC3H5CHO+OH = IC3H5CO+H2O 2.690E+10 0.76 -3.400E+02 REV/ 4.400E+10 0.78 3.608E+04 / IC3H5CHO+HO2 = IC3H5CO+H2O2 1.000E+12 0.00 1.192E+04 REV/ 9.709E+12 -0.31 1.688E+04 / IC3H5CHO+CH3 = IC3H5CO+CH4 3.980E+12 0.00 8.700E+03 REV/ 3.928E+13 0.02 3.045E+04 / IC3H5CHO+O = IC3H5CO+OH 7.180E+12 0.00 1.389E+03 REV/ 1.191E+12 0.02 2.056E+04 / IC3H5CHO+O2 = IC3H5CO+HO2 2.000E+13 0.00 4.070E+04 REV/ 1.824E+11 0.31 5.337E+03 / IC3H5CHO+H = IC3H5CO+H2 2.600E+12 0.00 2.600E+03 REV/ 9.822E+11 0.02 2.387E+04 / IC3H5CO = C3H5-T+CO 1.278E+20 -1.89 3.446E+04 REV/ 1.510E+11 0.00 4.809E+03 / TC3H6CHO+HO2 = TC3H6OCHO+OH 9.640E+12 0.00 0.000E+00 REV/ 2.018E+17 -1.20 2.101E+04 / TC3H6OCHO = CH3COCH3+HCO 3.980E+13 0.00 9.700E+03 REV/ 2.173E+08 0.80 1.424E+04 / TC3H6CHO = IC3H5CHO+H 1.325E+14 0.01 3.934E+04 REV/ 1.300E+13 0.00 1.200E+03 / TC3H6CHO = IC3H6CO+H 4.084E+14 -0.07 4.241E+04 REV/ 1.300E+13 0.00 4.800E+03 / TC3H6CHO+H2 = IC3H7CHO+H 2.160E+05 2.38 1.899E+04 REV/ 1.319E+05 2.47 3.550E+03 / IC4H7OOH = IC4H7O+OH 6.400E+15 0.00 4.555E+04 REV/ 1.000E+11 0.00 0.000E+00 / IC4H7OH = IC4H7O+H 5.969E+16 -0.56 1.059E+05 REV/ 4.000E+13 0.00 0.000E+00 / IC4H8OH = IC4H7OH+H 1.707E+12 0.28 3.885E+04 REV/ 1.000E+13 0.00 1.200E+03 / IC4H7O+H2 = IC4H7OH+H 9.050E+06 2.00 1.783E+04 REV/ 7.160E+05 2.44 1.631E+04 / IC4H7OH = IC4H7+OH 7.310E+16 -0.41 7.970E+04 REV/ 3.000E+13 0.00 0.000E+00 / IC4H7O+CH2O = IC4H7OH+HCO 1.150E+11 0.00 1.280E+03 REV/ 3.020E+11 0.00 1.816E+04 / TC3H6CHO+CH2O = IC3H7CHO+HCO 2.520E+08 1.90 1.819E+04 REV/ 1.229E+07 1.99 1.742E+04 / TC3H6CHO+IC4H8 = IC3H7CHO+IC4H7 4.700E+02 3.30 1.984E+04 REV/ 6.613E+00 3.39 8.672E+03 / IC3H6CO+OH = IC3H7+CO2 1.730E+12 0.00 -1.010E+03 REV/ 2.577E+14 -0.43 5.548E+04 / TC3H6OHCHO = TC3H6CHO+OH 9.990E+20 -1.46 8.748E+04 REV/ 5.000E+13 0.00 0.000E+00 / TC3H6OHCHO = TC3H6OH+HCO 5.164E+23 -1.90 7.685E+04 REV/ 1.810E+13 0.00 0.000E+00 / TC3H6OH = CH3COCH3+H 5.000E+13 0.00 2.186E+04 REV/ 1.000E+12 0.00 0.000E+00 / TC3H6OH = IC3H5OH+H 6.196E+15 -0.66 4.034E+04 REV/ 1.300E+13 0.00 1.560E+03 / IC3H5OH = C3H5-T+OH 7.369E+19 -0.94 1.091E+05 REV/ 5.000E+13 0.00 0.000E+00 / TC3H6O2CHO = TC3H6CHO+O2 2.787E+25 -4.07 2.845E+04 REV/ 1.990E+17 -2.10 0.000E+00 / TC3H6O2CHO = IC3H5O2HCHO 6.000E+11 0.00 2.988E+04 REV/ 1.390E+12 -0.52 1.480E+04 / TC3H6O2CHO = TC3H6O2HCO 1.000E+11 0.00 2.575E+04 REV/ 8.258E+11 -0.52 2.280E+04 / IC3H5O2HCHO = IC3H5CHO+HO2 8.944E+20 -2.44 1.503E+04 REV/ 2.230E+11 0.00 1.060E+04 / TC3H6O2HCO = CH3COCH3+CO+OH 4.244E+18 -1.43 4.800E+03 REV/ 0.000E+00 0.00 0.000E+00 / TC3H6OH+O2 = CH3COCH3+HO2 2.230E+13 0.00 0.000E+00 REV/ 6.529E+17 -1.19 2.561E+04 / IC3H6CO+OH = TC3H6OH+CO 2.000E+12 0.00 -1.010E+03 REV/ 1.009E+09 0.90 3.154E+04 / TC3H6CHO+O2 = IC3H5CHO+HO2 2.725E-19 0.00 7.240E+03 REV/ 1.390E+11 -0.20 1.731E+04 / TC3H6CHO+O2 = CH3COCH3+CO+OH 3.620E-20 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / TC3H6CHO+HO2 = IC3H7CHO+O2 3.675E+12 0.00 1.310E+03 REV/ 1.236E+14 -0.24 4.335E+04 / TC3H6CHO+CH3 = IC3H5CHO+CH4 3.010E+12 -0.32 -1.310E+02 REV/ 2.207E+15 -0.85 6.790E+04 / TC4H8CHO = IC3H5CHO+CH3 1.000E+13 0.00 2.629E+04 REV/ 2.230E+11 0.00 1.060E+04 / TC4H8CHO = IC4H8+HCO 8.520E+12 0.00 2.009E+04 REV/ 1.000E+11 0.00 6.000E+03 / O2C4H8CHO = TC4H8CHO+O2 1.519E+19 -1.44 3.451E+04 REV/ 2.000E+12 0.00 0.000E+00 / O2C4H8CHO = O2HC4H8CO 2.160E+11 0.00 1.536E+04 REV/ 1.173E+13 -0.68 1.488E+04 / O2HC4H8CO = IC4H8O2H-T+CO 3.299E+22 -2.72 1.176E+04 REV/ 1.500E+11 0.00 4.809E+03 / IC4H7O+IC4H8 = IC4H7OH+IC4H7 2.700E+11 0.00 4.000E+03 REV/ 1.000E+10 0.00 9.000E+03 / IC4H6OH+HO2 = CH2CCH2OH+CH2O+OH 1.446E+13 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / IC4H8+CH2CCH2OH = IC4H7+C3H5OH 7.940E+11 0.00 2.050E+04 REV/ 2.750E+11 -0.05 2.847E+04 / C3H5OH+HO2 = CH2CCH2OH+H2O2 1.761E+09 0.28 2.259E+04 REV/ 3.010E+09 0.00 2.583E+03 / C3H5OH+OH = CH2CCH2OH+H2O 5.060E+12 0.00 5.960E+03 REV/ 1.457E+12 0.05 1.741E+04 / C3H5OH+H = CH2CCH2OH+H2 3.900E+05 2.50 5.821E+03 REV/ 2.594E+04 2.55 2.121E+03 / C3H5OH+O2 = CH2CCH2OH+HO2 4.000E+13 0.00 6.069E+04 REV/ 4.833E+10 0.38 -4.920E+02 / C3H5OH+CH3 = CH2CCH2OH+CH4 2.400E+11 0.00 8.030E+03 REV/ 4.170E+11 0.05 4.810E+03 / IC4H7OH = CH2CCH2OH+CH3 1.247E+20 -0.98 9.857E+04 REV/ 3.000E+13 0.00 0.000E+00 / C3H5OH = CH2CCH2OH+H 2.835E+19 -1.05 1.111E+05 REV/ 1.000E+14 0.00 0.000E+00 / CH2CCH2OH+O2 = CH2OH+CO+CH2O 4.335E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / CH2CCH2OH = C2H2+CH2OH 2.163E+40 -8.31 4.511E+04 REV/ 1.610E+40 -8.58 2.033E+04 / CH2CCH2OH = C3H4-A+OH 6.697E+16 -1.11 4.258E+04 REV/ 8.500E+12 0.00 2.000E+03 / C3H6 = C3H5-A+H 2.010E+61 -13.26 1.185E+05 REV / 4.887E+56 -12.25 2.808E+04 / C3H6+O = CH2CO+CH3+H 2.500E+07 1.76 7.600E+01 REV / 1.000E+00 0.00 0.000E+00 / C3H6+O = C2H5+HCO 1.580E+07 1.76 -1.216E+03 REV / 1.402E+05 1.88 2.651E+04 / C3H6+O = CH3CHCO+H+H 2.500E+07 1.76 7.600E+01 REV / 0.000E+00 0.00 0.000E+00 / C3H6 = C3H5-S+H 7.710E+69 -16.09 1.400E+05 REV / 1.217E+63 -14.60 2.616E+04 / C3H6+HO2 = C3H5-A+H2O2 1.500E+11 0.00 1.419E+04 REV / 5.867E+05 1.33 9.759E+03 / C3H6+HO2 = C3H5-S+H2O2 7.500E+09 0.00 1.257E+04 REV / 2.308E+04 1.27 -1.342E+04 / C3H6+HO2 = C3H5-T+H2O2 3.000E+09 0.00 9.930E+03 REV / 9.234E+03 1.27 -1.406E+04 / C3H6+OH = C3H5-A+H2O 3.120E+06 2.00 -2.980E+02 REV / 6.194E+06 2.01 3.188E+04 / C3H6+OH = C3H5-S+H2O 2.110E+06 2.00 2.778E+03 REV / 2.719E+04 2.49 1.153E+04 / C4H6 = C2H3+C2H3 4.027E+19 -1.00 9.815E+04 REV / 1.260E+13 0.00 0.000E+00 / C4H6+OH = C2H5+CH2CO 1.000E+12 0.00 0.000E+00 REV / 3.730E+12 0.00 3.002E+04 / C4H6+OH = CH2O+C3H5-A 1.000E+12 0.00 0.000E+00 REV / 3.501E+06 0.00 7.106E+04 / C4H6+OH = C2H3+CH3CHO 1.000E+12 0.00 0.000E+00 REV / 5.437E+11 0.00 1.855E+04 / C4H6+O = C2H4+CH2CO 1.000E+12 0.00 0.000E+00 REV / 6.377E+11 0.00 9.434E+04 / C4H6+O = CH2O+C3H4-A 1.000E+12 0.00 0.000E+00 REV / 1.075E+12 0.00 7.905E+04 / C2H4+O2 = C2H3+HO2 4.000E+13 0.00 5.820E+04 REV / 4.939E+13 -0.50 1.368E+03 / CH2O+M = CO+H2+M 1.826E+32 -4.42 8.712E+04 REV / 5.070E+27 -3.42 8.435E+04 / NC3H7 = CH3+C2H4 2.284E+14 -0.55 2.840E+04 REV / 4.100E+11 0.00 7.204E+03 / NC3H7 = H+C3H6 2.667E+15 -0.64 3.682E+04 REV / 1.000E+13 0.00 2.500E+03 / NC3H7+O2 = C3H6+HO2 3.000E+11 0.00 3.000E+03 REV / 2.000E+11 0.00 1.750E+04 / C2H4+CH3O = C2H3+CH3OH 1.200E+11 0.00 6.750E+03 REV / 1.000E+10 0.00 9.000E+03 / C3H6+OH = C3H5-T+H2O 1.110E+06 2.00 1.451E+03 REV / 3.276E+03 2.69 1.231E+04 / C3H6+O = C3H5-A+OH 5.240E+11 0.70 5.884E+03 REV / 1.055E+11 0.71 2.082E+04 / C3H6+O = C3H5-S+OH 1.200E+11 0.70 8.959E+03 REV / 1.569E+08 1.19 4.600E+02 / C3H6+O = C3H5-T+OH 6.030E+10 0.70 7.632E+03 REV / 1.805E+07 1.39 1.243E+03 / C3H6+H = C3H5-A+H2 1.730E+05 2.50 2.492E+03 REV / 7.933E+04 2.51 1.952E+04 / C3H6+O2 = C3H5-S+HO2 2.000E+12 0.00 6.290E+04 REV / 1.081E+08 0.82 -9.840E+02 / C3H6+H = C2H4+CH3 4.830E+33 -5.81 1.850E+04 REV / 2.313E+33 -5.90 3.162E+04 / IC3H7 = H+C3H6 8.569E+18 -1.57 4.034E+04 REV / 1.300E+13 0.00 1.560E+03 / IC3H7+H = C2H5+CH3 2.000E+13 0.00 0.000E+00 REV / 4.822E+09 0.69 1.209E+04 / IC3H7+O2 = C3H6+HO2 4.500E+11 0.00 5.020E+03 REV / 2.000E+11 0.00 1.750E+04 / C3H8+M = CH3+C2H5+M 7.900E+22 -1.80 8.863E+04 REV / 3.659E+14 -0.36 9.890E+02 / C3H8+O2 = IC3H7+HO2 4.000E+13 0.00 4.750E+04 REV / 2.080E+12 0.00 0.000E+00 / C3H8+O2 = NC3H7+HO2 4.000E+13 0.00 4.750E+04 REV / 2.080E+12 0.00 0.000E+00 / H+C3H8 = H2+IC3H7 1.300E+06 2.40 4.471E+03 REV / 4.709E+05 2.15 1.218E+04 / H+C3H8 = H2+NC3H7 1.880E+05 2.75 6.280E+03 REV / 2.756E+01 3.44 9.530E+03 / C3H8+O = IC3H7+OH 2.810E+13 0.00 5.200E+03 REV / 1.870E+12 0.00 9.607E+03 / C3H8+O = NC3H7+OH 1.130E+14 0.00 7.850E+03 REV / 7.530E+12 0.00 1.226E+04 / C3H8+OH = NC3H7+H2O 1.054E+10 0.97 1.586E+03 REV / 6.931E+09 0.97 2.325E+04 / C3H8+OH = IC3H7+H2O 4.670E+07 1.61 -3.500E+01 REV / 3.071E+07 1.61 2.163E+04 / C3H8+HO2 = IC3H7+H2O2 5.600E+12 0.00 1.770E+04 REV / 4.160E+11 0.00 7.426E+03 / C3H8+HO2 = NC3H7+H2O2 1.680E+13 0.00 2.043E+04 REV / 2.330E+12 0.00 9.826E+03 / CH3+C3H8 = CH4+IC3H7 3.980E+11 0.00 9.500E+03 REV / 1.585E+12 0.00 1.648E+04 / CH3+C3H8 = CH4+NC3H7 1.290E+12 0.00 1.160E+04 REV / 5.129E+12 0.00 1.858E+04 / IC3H7+C3H8 = NC3H7+C3H8 3.000E+10 0.00 1.290E+04 REV / 3.000E+10 0.00 1.290E+04 / C2H3+C3H8 = C2H4+IC3H7 1.000E+11 0.00 1.040E+04 REV / 1.310E+11 0.00 1.780E+04 / C2H3+C3H8 = C2H4+NC3H7 1.000E+11 0.00 1.040E+04 REV / 1.310E+11 0.00 1.780E+04 / C2H5+C3H8 = C2H6+IC3H7 1.000E+11 0.00 1.040E+04 REV / 3.630E+10 0.00 9.934E+03 / C2H5+C3H8 = C2H6+NC3H7 1.000E+11 0.00 1.040E+04 REV / 3.630E+10 0.00 9.934E+03 / C3H8+C3H5-A = IC3H7+C3H6 2.000E+11 0.00 1.610E+04 REV / 3.980E+10 0.00 9.700E+03 / C3H8+C3H5-A = NC3H7+C3H6 7.940E+11 0.00 2.050E+04 REV / 1.000E+11 0.00 9.800E+03 / C3H8+CH3O = NC3H7+CH3OH 3.000E+11 0.00 7.000E+03 REV / 1.220E+10 0.00 9.182E+03 / C3H8+CH3O = IC3H7+CH3OH 3.000E+11 0.00 7.000E+03 REV / 1.220E+10 0.00 9.182E+03 / BC5H10 = CH3+C4H7 1.000E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / CC5H10 = CH3+C4H7 1.000E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C5H9 = C3H5-A+C2H4 2.500E+13 0.00 4.500E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H9 = C4H6+CH3 1.339E+15 -0.52 3.832E+04 REV / 1.750E+11 0.00 7.600E+03 / C4H7 = C4H6+H 1.200E+14 0.00 4.930E+04 REV / 4.000E+13 0.00 1.300E+03 / C4H7 = C2H4+C2H3 1.000E+11 0.00 3.700E+04 REV / 5.000E+10 0.00 7.000E+03 / C4H7+C3H6 = C4H8-2+C3H5-A 1.000E+11 0.00 1.590E+04 REV / 1.000E+11 0.00 1.500E+04 / C4H8-1+C4H6 = C4H7+C4H7 2.350E+12 0.00 4.672E+04 REV / 1.600E+12 0.00 0.000E+00 / C4H8-2+C4H6 = C4H7+C4H7 2.350E+12 0.00 4.672E+04 REV / 1.600E+12 0.00 0.000E+00 / C4H7+CH3 = C4H6+CH4 8.000E+12 0.00 0.000E+00 REV / 7.050E+13 0.00 5.728E+04 / C3H5-A+C4H7 = C3H6+C4H6 6.310E+12 0.00 0.000E+00 REV / 1.000E+10 0.00 5.000E+04 / C4H7+O2 = C4H6+HO2 1.000E+09 0.00 0.000E+00 REV / 1.000E+11 0.00 1.700E+04 / H+C4H7 = C4H6+H2 3.160E+13 0.00 0.000E+00 REV / 1.066E+13 0.00 5.681E+04 / C2H5+C4H7 = C4H6+C2H6 3.980E+12 0.00 0.000E+00 REV / 3.211E+12 0.00 4.984E+04 / C2H5+C4H7 = C2H4+C4H8-1 9.240E+06 1.50 -9.620E+02 REV / 7.807E+02 2.91 5.096E+04 / C2H5+C4H7 = C2H4+C4H8-2 5.000E+11 0.00 0.000E+00 REV / 8.478E+11 0.00 5.633E+04 / C2H3+C4H7 = C2H4+C4H6 3.980E+12 0.00 0.000E+00 REV / 1.157E+13 0.00 5.771E+04 / C4H8-2 = H+C4H7 4.107E+18 -1.00 9.735E+04 REV / 5.000E+13 0.00 0.000E+00 / C4H8-2+CH3 = C4H7+CH4 1.000E+11 0.00 8.200E+03 REV / 6.000E+11 0.00 1.876E+04 / C4H8-2+H = C4H7+H2 5.000E+13 0.00 3.800E+03 REV / 3.160E+13 0.00 2.230E+04 / C4H8-2+OH = C2H5+CH3CHO 2.600E+13 0.00 0.000E+00 REV / 2.430E+13 0.00 1.993E+04 / C4H8-2+O = IC3H7+HCO 2.790E+06 2.12 -1.775E+03 REV / 1.050E+05 2.12 2.404E+04 / C4H8-2+OH = C4H7+H2O 3.900E+13 0.00 2.217E+03 REV / 4.772E+12 0.00 2.647E+04 / C4H8-2+O = C2H4+CH3CHO 4.640E+05 2.12 -1.775E+03 REV / 7.400E+04 2.12 8.248E+04 / C4H8-2+HO2 = C4H7+H2O2 3.200E+12 0.00 1.490E+04 REV / 1.585E+11 0.00 1.470E+04 / C4H8-2+O2 = C4H7+HO2 8.000E+13 0.00 3.540E+04 REV / 3.000E+11 0.00 0.000E+00 / C4H8-1 = C3H5-A+CH3 5.000E+15 0.00 7.100E+04 REV / 5.000E+12 0.00 0.000E+00 / C4H8-1 = C2H3+C2H5 1.000E+19 -1.00 9.677E+04 REV / 9.000E+12 0.00 0.000E+00 / C4H8-1 = H+C4H7 4.107E+18 -1.00 9.735E+04 REV / 5.000E+13 0.00 0.000E+00 / C4H8-1+CH3 = C4H7+CH4 1.000E+11 0.00 7.300E+03 REV / 6.000E+11 0.00 1.786E+04 / C4H8-1+H = C4H7+H2 5.000E+13 0.00 3.900E+03 REV / 4.000E+13 0.00 2.520E+04 / C4H8-1+OH = C4H7+H2O 2.250E+13 0.00 2.217E+03 REV / 4.772E+12 0.00 2.647E+04 / C4H8-1+C3H5-A = C4H7+C3H6 7.900E+10 0.00 1.240E+04 REV / 1.000E+11 0.00 1.750E+04 / C4H8-1+HO2 = C4H7+H2O2 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / C4H8-1+O2 = C4H7+HO2 2.700E+13 0.00 3.320E+04 REV / 3.000E+11 0.00 0.000E+00 / SC4H9 = C3H6+CH3 7.367E+17 -1.40 3.023E+04 REV / 3.300E+11 0.00 7.200E+03 / SC4H9 = C4H8-2+H 5.202E+20 -2.35 3.972E+04 REV / 1.000E+13 0.00 2.900E+03 / SC4H9 = C4H8-1+H 3.586E+20 -2.10 4.097E+04 REV / 1.000E+13 0.00 1.200E+03 / SC4H9+O2 = C4H8-1+HO2 4.500E-19 0.00 5.020E+03 REV / 2.000E-19 0.00 1.750E+04 / SC4H9+O2 = C4H8-2+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / PC4H9 = C2H5+C2H4 7.497E+17 -1.41 2.958E+04 REV / 3.300E+11 0.00 7.200E+03 / PC4H9 = C4H8-1+H 1.159E+17 -1.17 3.816E+04 REV / 1.000E+13 0.00 2.900E+03 / PC4H9+O2 = C4H8-1+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / TC4H9 = H+IC4H8 4.650E+46 -9.83 5.508E+04 REV / 5.889E+44 -9.42 1.698E+04 / TC4H9+O2 = IC4H8+HO2 7.500E-19 0.00 5.020E+03 REV / 2.000E-19 0.00 1.750E+04 / IC4H9 = C3H6+CH3 1.640E+37 -7.40 3.867E+04 REV / 1.592E+34 -7.11 1.803E+04 / IC4H9 = IC4H8+H 4.980E+32 -6.23 4.007E+04 REV / 1.606E+29 -5.24 6.265E+03 / IC4H9+O2 = IC4H8+HO2 1.500E-19 0.00 2.000E+03 REV / 2.000E-19 0.00 1.750E+04 / IC4H10 = CH3+IC3H7 3.640E+87 -20.20 1.304E+05 REV / 1.910E+84 -20.49 4.537E+04 / IC4H10 = TC4H9+H 2.510E+98 -23.81 1.453E+05 REV / 5.242E+90 -22.24 4.644E+04 / IC4H10 = IC4H9+H 9.850E+95 -23.11 1.476E+05 REV / 8.077E+89 -22.12 4.441E+04 / IC4H10+H = TC4H9+H2 1.260E+14 0.00 7.300E+03 REV / 1.000E+12 0.00 1.600E+04 / IC4H10+H = IC4H9+H2 1.000E+14 0.00 8.400E+03 REV / 3.200E+12 0.00 1.570E+04 / IC4H10+CH3 = TC4H9+CH4 1.000E+11 0.00 7.900E+03 REV / 2.000E+11 0.00 2.100E+04 / IC4H10+CH3 = IC4H9+CH4 8.200E+12 0.00 1.420E+04 REV / 2.000E+11 0.00 1.500E+04 / IC4H10+OH = TC4H9+H2O 5.730E+10 0.51 6.300E+01 REV / 1.170E+11 0.51 2.160E+04 / IC4H10+OH = IC4H9+H2O 2.290E+08 1.53 7.760E+02 REV / 4.000E+08 1.53 2.227E+04 / IC4H10+C2H5 = IC4H9+C2H6 1.510E+12 0.00 1.040E+04 REV / 3.200E+11 0.00 1.230E+04 / IC4H10+C2H5 = TC4H9+C2H6 1.000E+11 0.00 7.900E+03 REV / 3.000E+11 0.00 2.100E+04 / IC4H10+HO2 = IC4H9+H2O2 2.550E+13 0.00 2.046E+04 REV / 3.000E+12 0.00 7.400E+03 / IC4H10+HO2 = TC4H9+H2O2 2.800E+12 0.00 1.600E+04 REV / 3.000E+12 0.00 7.400E+03 / IC4H10+O = TC4H9+OH 1.100E+13 0.00 3.280E+03 REV / 2.000E+12 0.00 9.600E+03 / IC4H10+O = IC4H9+OH 3.200E+13 0.00 5.760E+03 REV / 2.000E+12 0.00 9.600E+03 / IC4H10+CH3O = IC4H9+CH3OH 4.800E+11 0.00 7.000E+03 REV / 8.160E+13 0.00 5.642E+04 / IC4H10+CH3O = TC4H9+CH3OH 1.900E+10 0.00 2.800E+03 REV / 1.000E+10 0.00 5.200E+03 / IC4H10+O2 = IC4H9+HO2 1.800E+14 0.00 4.600E+04 REV / 2.000E+12 0.00 2.000E+03 / IC4H10+O2 = TC4H9+HO2 2.040E+13 0.00 4.135E+04 REV / 2.000E+12 0.00 2.000E+03 / C4H10 = C2H5+C2H5 3.458E+24 -2.30 8.775E+04 REV / 4.000E+12 0.00 -5.960E+02 / C4H10 = NC3H7+CH3 1.366E+21 -1.52 8.732E+04 REV / 4.000E+12 0.00 -5.960E+02 / C4H10 = PC4H9+H 4.559E+21 -1.69 1.037E+05 REV / 3.610E+13 0.00 0.000E+00 / C4H10 = SC4H9+H 1.473E+18 -0.75 9.921E+04 REV / 3.610E+13 0.00 0.000E+00 / C4H10+O2 = PC4H9+HO2 2.500E+13 0.00 4.900E+04 REV / 2.500E+12 0.00 -2.200E+03 / C4H10+O2 = SC4H9+HO2 4.000E+13 0.00 4.760E+04 REV / 4.070E+12 0.00 -3.622E+03 / C4H10+C3H5-A = PC4H9+C3H6 7.940E+11 0.00 2.050E+04 REV / 1.000E+12 0.00 2.000E+04 / C4H10+C3H5-A = SC4H9+C3H6 3.160E+11 0.00 1.640E+04 REV / 1.000E+12 0.00 2.000E+04 / C4H10+C2H5 = PC4H9+C2H6 1.580E+11 0.00 1.230E+04 REV / 3.560E+10 0.00 1.292E+04 / C4H10+C2H5 = SC4H9+C2H6 1.000E+11 0.00 1.040E+04 REV / 7.120E+10 0.00 9.917E+03 / C4H10+C2H3 = PC4H9+C2H4 1.000E+12 0.00 1.800E+04 REV / 2.570E+12 0.00 2.538E+04 / C4H10+C2H3 = SC4H9+C2H4 8.000E+11 0.00 1.680E+04 REV / 2.050E+12 0.00 2.418E+04 / C4H10+CH3 = PC4H9+CH4 2.189E+11 0.00 1.140E+04 REV / 5.555E+12 0.00 1.856E+04 / C4H10+CH3 = SC4H9+CH4 2.189E+11 0.00 9.600E+03 REV / 3.432E+12 0.00 1.646E+04 / C4H10+H = PC4H9+H2 1.880E+05 2.75 6.280E+03 REV / 2.808E+01 3.44 1.000E+04 / C4H10+H = SC4H9+H2 2.600E+06 2.40 4.471E+03 REV / 1.202E+06 2.15 1.270E+04 / C4H10+OH = PC4H9+H2O 1.054E+10 0.97 1.586E+03 REV / 6.815E+06 1.66 2.046E+04 / C4H10+OH = SC4H9+H2O 9.340E+07 1.61 -3.500E+01 REV / 1.869E+08 1.36 2.335E+04 / C4H10+O = PC4H9+OH 1.130E+14 0.00 7.850E+03 REV / 1.480E+13 0.00 1.224E+04 / C4H10+O = SC4H9+OH 5.620E+13 0.00 5.200E+03 REV / 7.350E+12 0.00 9.590E+03 / C4H10+HO2 = PC4H9+H2O2 1.700E+13 0.00 2.046E+04 REV / 4.580E+12 0.00 9.809E+03 / C4H10+HO2 = SC4H9+H2O2 1.120E+13 0.00 1.770E+04 REV / 1.630E+12 0.00 7.409E+03 / C4H10+CH3O = PC4H9+CH3OH 3.000E+11 0.00 7.000E+03 REV / 1.220E+10 0.00 5.000E+04 / C4H10+CH3O = SC4H9+CH3OH 6.000E+11 0.00 7.000E+03 REV / 2.441E+10 0.00 5.000E+04 / CH3COCH3 = CH3CO+CH3 1.219E+23 -1.99 8.395E+04 REV / 1.000E+13 0.00 0.000E+00 / CH3COCH3+OH = CH3COCH2+H2O 1.054E+10 0.97 1.586E+03 REV / 6.931E+09 0.97 2.325E+04 / CH3COCH3+H = CH3COCH2+H2 5.628E+07 2.00 7.700E+03 REV / 9.000E+12 0.00 1.450E+05 / CH3COCH3+O = CH3COCH2+OH 1.130E+14 0.00 7.850E+03 REV / 7.500E+12 0.00 1.230E+04 / CH3COCH3+CH3 = CH3COCH2+CH4 3.960E+11 0.00 9.784E+03 REV / 5.378E+08 0.86 1.754E+04 / CH3COCH3+CH3O = CH3COCH2+CH3OH 1.000E+11 0.00 7.000E+03 REV / 1.000E+10 0.00 9.000E+03 / CH3COCH2 = CH2CO+CH3 1.000E+14 0.00 3.100E+04 REV / 1.000E+11 0.00 6.000E+03 / CH3COCH3+O2 = CH3COCH2+HO2 1.200E+14 0.00 4.600E+04 REV / 2.000E+12 0.00 2.000E+03 / CH3COCH3+HO2 = CH3COCH2+H2O2 1.700E+13 0.00 2.046E+04 REV / 1.000E+11 0.00 8.000E+03 / C2H5CO = C2H5+CO 1.834E+15 -0.73 1.291E+04 REV / 1.510E+11 0.00 4.810E+03 / C2H5CHO+H = C2H5CO+H2 3.980E+13 0.00 4.200E+03 REV / 1.778E+13 0.00 2.367E+04 / C2H5CHO+O = C2H5CO+OH 5.010E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.916E+04 / C2H5CHO+OH = C2H5CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.705E+10 0.76 3.120E+04 / C2H5CHO+CH3 = C2H5CO+CH4 2.608E+06 1.78 5.911E+03 REV / 9.972E+06 1.78 2.278E+04 / C2H5CHO+HO2 = C2H5CO+H2O2 1.000E+12 0.00 1.100E+04 REV / 1.000E+12 0.00 1.400E+04 / C2H5CHO+CH3O = C2H5CO+CH3OH 1.000E+12 0.00 3.300E+03 REV / 3.160E+11 0.00 1.800E+04 / C2H5CHO+C2H5 = C2H5CO+C2H6 1.000E+12 0.00 8.000E+03 REV / 1.585E+13 0.00 2.800E+04 / C2H5CHO = C2H5+HCO 9.850E+18 -0.73 8.171E+04 REV / 1.810E+13 0.00 0.000E+00 / C2H5CHO+O2 = C2H5CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.909E+14 0.50 3.090E+03 / C2H5CHO+NC3H7 = C2H5CO+C3H8 1.700E+12 0.00 8.440E+03 REV / 1.900E+14 0.00 1.879E+04 / C2H5CHO+IC3H7 = C2H5CO+C3H8 1.700E+12 0.00 8.440E+03 REV / 1.900E+14 0.00 1.879E+04 / C2H5CHO+C2H3 = C2H5CO+C2H4 1.700E+12 0.00 8.440E+03 REV / 2.488E+14 0.00 2.619E+04 / C2H5CHO+C3H5-A = C2H5CO+C3H6 1.700E+12 0.00 8.440E+03 REV / 1.000E+13 0.00 2.800E+04 / C5H10-1 = C2H5+C3H5-A 9.173E+20 -1.63 7.399E+04 REV / 4.000E+12 0.00 -5.960E+02 / C5H10-1+H = C5H9+H2 2.800E+13 0.00 4.000E+03 REV / 1.000E+12 0.00 1.400E+04 / C5H10-1+O = C5H9+OH 2.540E+05 2.56 -1.130E+03 REV / 7.000E+11 0.00 2.990E+04 / C5H10-1+O = PC4H9+HCO 1.000E+11 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10-1+O = NC3H7+CH3CO 1.000E+11 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10-1+OH = C5H9+H2O 5.120E+06 2.00 -2.980E+02 REV / 2.060E+07 2.16 3.497E+04 / C5H10-1+OH = PC4H9+CH2O 1.000E+11 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10-1+OH = NC3H7+CH3CHO 1.000E+11 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10-1+CH3 = C5H9+CH4 1.000E+11 0.00 7.300E+03 REV / 6.000E+11 0.00 1.790E+04 / H2O2+H = H2+HO2 4.820E+13 0.00 7.950E+03 REV / 1.875E+12 0.33 2.426E+04 / HCO+O = CO2+H 3.000E+13 0.00 0.000E+00 REV / 9.677E+15 0.00 1.102E+05 / CH3+M = CH2+H+M 1.968E+16 0.00 9.252E+04 REV / 2.107E+11 1.00 -1.962E+04 / CH3+H = CH2+H2 9.000E+13 0.00 1.510E+04 REV / 1.818E+13 0.00 1.040E+04 / CH3+OH = CH2+H2O 3.000E+06 2.00 2.500E+03 REV / 2.623E+06 2.00 1.296E+04 / CH+CH4 = C2H4+H 6.000E+13 0.00 0.000E+00 REV / 3.573E+14 0.00 5.548E+04 / CH3OH(+M) = CH2OH+H(+M) 2.690E+16 -0.08 9.894E+04 ! REV / 1.528E+06 2.58 -3.420E+02 / LOW / 2.34E+40 -6.33 1.031E+05 / TROE/ 0.773 693. 5333. 1.00E+10/ CH3CO+H = CH2CO+H2 2.000E+13 0.00 1.000E-10 REV / 7.270E+09 0.00 8.304E+04 / CH3CO+O = CH2CO+OH 2.000E+13 0.00 1.000E-10 REV / 7.270E+09 0.00 8.304E+04 / CH3CO+CH3 = CH2CO+CH4 5.000E+13 0.00 1.000E-10 REV / 7.270E+09 0.00 8.304E+04 / C2H4+O = CH2CHO+H 3.390E+06 1.88 1.790E+02 REV / 9.481E+06 1.79 1.605E+04 / C2H5+O = CH3CHO+H 5.000E+13 0.00 0.000E+00 REV / 9.000E+13 0.00 7.268E+04 / C2H6+CH = C2H5+CH2 1.100E+14 0.00 -2.600E+02 REV / 3.829E+10 0.56 4.400E+02 / CH2OH+CH2O = CH3OH+HCO 1.292E-01 4.56 6.596E+03 REV / 9.630E+03 2.90 1.311E+04 / C3H6+O2 = C3H5-T+HO2 1.400E+12 0.00 6.070E+04 REV / 1.734E+07 1.01 -1.074E+03 / AC5H10 = IC4H7+CH3 7.127E+16 -0.65 7.354E+04 REV / 2.550E+13 -0.32 -1.310E+02 / C2H3+C2H4 = C4H6+H 5.000E+11 0.00 7.300E+03 REV / 1.000E+13 0.00 4.700E+03 / IC5H12 = IC3H7+C2H5 1.691E+19 -0.61 8.462E+04 REV / 4.000E+12 0.00 -5.960E+02 / IC5H12 = SC4H9+CH3 3.310E+15 0.24 8.339E+04 REV / 4.000E+12 0.00 -5.960E+02 / IC5H12 = IC4H9+CH3 7.174E+18 -0.86 8.577E+04 REV / 4.000E+12 0.00 -5.960E+02 / IC5H12 = AC5H11+H 1.469E+19 -0.99 1.032E+05 REV / 3.610E+13 0.00 0.000E+00 / IC5H12 = BC5H11+H 6.411E+20 -1.53 9.884E+04 REV / 3.610E+13 0.00 0.000E+00 / IC5H12 = CC5H11+H 2.185E+20 -1.34 1.006E+05 REV / 3.610E+13 0.00 0.000E+00 / IC5H12 = DC5H11+H 1.469E+19 -0.99 1.032E+05 REV / 3.610E+13 0.00 0.000E+00 / IC5H12+H = AC5H11+H2 1.207E+06 2.54 6.756E+03 REV / 5.595E+04 2.54 1.104E+04 / IC5H12+H = BC5H11+H2 6.020E+05 2.40 2.583E+03 REV / 6.393E+02 2.93 1.119E+04 / IC5H12+H = CC5H11+H2 1.300E+06 2.40 4.471E+03 REV / 4.050E+03 2.74 1.127E+04 / IC5H12+H = DC5H11+H2 9.400E+04 2.75 6.280E+03 REV / 4.357E+03 2.75 1.056E+04 / IC5H12+O = AC5H11+OH 2.697E+07 2.03 5.136E+03 REV / 5.491E+05 2.03 7.321E+03 / IC5H12+O = BC5H11+OH 3.968E+05 2.40 1.150E+03 REV / 1.851E+02 2.93 7.660E+03 / IC5H12+O = CC5H11+OH 5.946E+05 2.44 2.846E+03 REV / 8.137E+02 2.78 7.546E+03 / IC5H12+O = DC5H11+OH 1.046E+06 2.42 4.766E+03 REV / 2.130E+04 2.42 6.951E+03 / IC5H12+OH = AC5H11+H2O 1.054E+10 0.97 1.590E+03 REV / 2.115E+09 0.96 2.103E+04 / IC5H12+OH = BC5H11+H2O 5.730E+10 0.51 6.300E+01 REV / 2.635E+08 1.04 2.382E+04 / IC5H12+OH = CC5H11+H2O 4.680E+07 1.61 -3.500E+01 REV / 6.313E+05 1.95 2.192E+04 / IC5H12+OH = DC5H11+H2O 5.240E+09 0.97 1.590E+03 REV / 1.052E+09 0.96 2.103E+04 / IC5H12+CH3 = AC5H11+CH4 9.067E-01 3.65 7.154E+03 REV / 1.098E+00 3.65 1.191E+04 / IC5H12+CH3 = BC5H11+CH4 6.010E-10 6.36 8.930E+02 REV / 1.667E-11 6.89 9.978E+03 / IC5H12+CH3 = CC5H11+CH4 8.400E+04 2.13 7.574E+03 REV / 6.837E+03 2.47 1.485E+04 / IC5H12+CH3 = DC5H11+CH4 4.520E-01 3.65 7.154E+03 REV / 5.474E-01 3.65 1.191E+04 / IC5H12+HO2 = AC5H11+H2O2 1.680E+13 0.00 2.044E+04 REV / 2.002E+13 -0.33 8.415E+03 / IC5H12+HO2 = BC5H11+H2O2 2.800E+12 0.00 1.601E+04 REV / 7.643E+10 0.21 8.307E+03 / IC5H12+HO2 = CC5H11+H2O2 5.600E+12 0.00 1.769E+04 REV / 4.484E+11 0.01 8.177E+03 / IC5H12+HO2 = DC5H11+H2O2 8.400E+12 0.00 2.044E+04 REV / 1.001E+13 -0.33 8.415E+03 / IC5H12+CH3O = AC5H11+CH3OH 3.200E+11 0.00 7.000E+03 REV / 1.200E+10 0.00 9.200E+03 / IC5H12+CH3O = BC5H11+CH3OH 1.900E+10 0.00 2.800E+03 REV / 1.000E+10 0.00 5.200E+03 / IC5H12+CH3O = CC5H11+CH3OH 1.100E+11 0.00 5.000E+03 REV / 8.910E+09 0.00 7.200E+03 / IC5H12+CH3O = DC5H11+CH3OH 1.580E+11 0.00 7.000E+03 REV / 1.200E+10 0.00 9.200E+03 / IC5H12+O2 = AC5H11+HO2 4.200E+13 0.00 5.281E+04 REV / 3.537E+10 0.32 -3.970E+02 / IC5H12+O2 = BC5H11+HO2 7.000E+12 0.00 4.801E+04 REV / 1.350E+08 0.86 -8.720E+02 / IC5H12+O2 = CC5H11+HO2 1.400E+13 0.00 5.016E+04 REV / 7.924E+08 0.66 -5.320E+02 / IC5H12+O2 = DC5H11+HO2 2.100E+13 0.00 5.281E+04 REV / 1.768E+10 0.32 -3.970E+02 / IC5H12+C2H5 = AC5H11+C2H6 1.000E+11 0.00 1.340E+04 REV / 3.200E+11 0.00 1.230E+04 / IC5H12+C2H5 = BC5H11+C2H6 1.000E+11 0.00 7.900E+03 REV / 3.000E+11 0.00 2.100E+04 / IC5H12+C2H5 = CC5H11+C2H6 5.000E+10 0.00 1.040E+04 REV / 1.000E+11 0.00 1.290E+04 / IC5H12+C2H5 = DC5H11+C2H6 5.000E+10 0.00 1.340E+04 REV / 3.240E+11 0.00 1.230E+04 / IC5H12+C2H3 = AC5H11+C2H4 1.000E+12 0.00 1.800E+04 REV / 2.600E+12 0.00 2.540E+04 / IC5H12+C2H3 = BC5H11+C2H4 2.000E+11 0.00 1.430E+04 REV / 2.500E+12 0.00 2.300E+04 / IC5H12+C2H3 = CC5H11+C2H4 3.980E+11 0.00 1.680E+04 REV / 2.000E+12 0.00 2.420E+04 / IC5H12+C2H3 = DC5H11+C2H4 5.000E+11 0.00 1.800E+04 REV / 2.510E+12 0.00 2.540E+04 / AC5H11 = C3H6+C2H5 1.028E+18 -1.19 3.144E+04 REV / 1.500E+11 0.00 1.060E+04 / AC5H11 = C4H8-1+CH3 1.094E+16 -0.86 2.980E+04 REV / 1.500E+11 0.00 9.200E+03 / AC5H11 = AC5H10+H 4.550E+16 -0.92 3.637E+04 REV / 1.000E+13 0.00 3.200E+03 / AC5H11+O2 = AC5H10+HO2 1.500E-19 0.00 2.000E+03 REV / 2.000E-19 0.00 1.750E+04 / AC5H11 = DC5H11 3.000E+11 0.00 2.110E+04 REV / 3.000E+11 0.00 2.110E+04 / BC5H11 = IC4H8+CH3 1.033E+14 -0.32 2.854E+04 REV / 3.300E+11 0.00 7.200E+03 / BC5H11 = AC5H10+H 1.042E+15 -0.39 3.870E+04 REV / 1.000E+13 0.00 1.200E+03 / BC5H11 = BC5H10+H 2.976E+15 -0.63 3.744E+04 REV / 1.000E+13 0.00 2.900E+03 / BC5H11+O2 = AC5H10+HO2 9.000E-19 0.00 5.020E+03 REV / 2.000E-19 0.00 1.750E+04 / BC5H11+O2 = BC5H10+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / CC5H11 = C4H8-2+CH3 1.067E+15 -0.77 2.936E+04 REV / 1.500E+11 0.00 9.200E+03 / CC5H11 = BC5H10+H 8.732E+15 -0.83 3.593E+04 REV / 1.000E+13 0.00 3.200E+03 / CC5H11 = CC5H10+H 1.478E+15 -0.56 4.000E+04 REV / 1.000E+13 0.00 2.900E+03 / CC5H11+O2 = BC5H10+HO2 1.500E-19 0.00 2.000E+03 REV / 2.000E-19 0.00 1.750E+04 / CC5H11+O2 = CC5H10+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / DC5H11 = C2H4+IC3H7 1.138E+15 -0.42 2.701E+04 REV / 3.300E+11 0.00 7.200E+03 / DC5H11 = CC5H10+H 2.199E+16 -0.90 3.749E+04 REV / 1.000E+13 0.00 2.900E+03 / DC5H11+O2 = CC5H10+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / AC5H10+OH = IC5H9+H2O 1.000E+12 0.00 1.230E+03 REV / 5.000E+12 0.00 2.650E+04 / BC5H10+OH = IC5H9+H2O 1.000E+12 0.00 1.230E+03 REV / 5.000E+12 0.00 2.650E+04 / CC5H10+OH = IC5H9+H2O 1.000E+12 0.00 1.230E+03 REV / 5.000E+12 0.00 2.650E+04 / AC5H10+H = IC5H9+H2 1.000E+12 0.00 3.800E+03 REV / 1.000E+12 0.00 2.500E+04 / BC5H10+H = IC5H9+H2 1.000E+12 0.00 3.800E+03 REV / 1.000E+12 0.00 2.500E+04 / CC5H10+H = IC5H9+H2 1.000E+12 0.00 3.800E+03 REV / 1.000E+12 0.00 2.500E+04 / AC5H10+CH3 = IC5H9+CH4 5.000E+11 0.00 7.300E+03 REV / 6.000E+11 0.00 2.500E+04 / BC5H10+CH3 = IC5H9+CH4 5.000E+11 0.00 7.300E+03 REV / 6.000E+11 0.00 2.500E+04 / CC5H10+CH3 = IC5H9+CH4 5.000E+11 0.00 7.300E+03 REV / 6.000E+11 0.00 2.500E+04 / AC5H10+O = IC5H9+OH 3.700E+05 2.56 -1.130E+03 REV / 1.000E+12 0.00 2.500E+04 / BC5H10+O = IC5H9+OH 3.700E+05 2.56 -1.130E+03 REV / 1.000E+12 0.00 2.500E+04 / CC5H10+O = IC5H9+OH 3.700E+05 2.56 -1.130E+03 REV / 1.000E+12 0.00 2.500E+04 / C5H10-2+OH = NC3H7+CH3CHO 2.000E+10 0.00 -4.000E+03 REV / 2.000E+13 0.00 2.000E+04 / C5H10-2+O = C3H6+CH3CHO 1.000E+10 0.00 0.000E+00 REV / 1.000E+12 0.00 8.100E+04 / IC5H9 = C3H4-A+C2H5 1.983E+20 -1.63 5.924E+04 REV / 2.000E+11 0.00 8.300E+03 / NC5H12 = CH3+PC4H9 2.426E+21 -1.59 8.699E+04 REV / 4.000E+12 0.00 -5.960E+02 / NC5H12 = NC3H7+C2H5 9.895E+24 -2.45 8.817E+04 REV / 4.000E+12 0.00 -5.960E+02 / NC5H12+H = C5H11-1+H2 1.880E+05 2.75 6.280E+03 REV / 1.043E+01 3.55 9.790E+03 / NC5H12+H = C5H11-2+H2 2.600E+06 2.40 4.471E+03 REV / 6.815E+05 2.22 1.258E+04 / NC5H12+H = C5H11-3+H2 1.300E+06 2.40 4.471E+03 REV / 6.833E+05 2.22 1.258E+04 / NC5H12+OH = C5H11-1+H2O 1.054E+10 0.97 1.590E+03 REV / 2.533E+06 1.77 2.026E+04 / NC5H12+OH = C5H11-2+H2O 9.340E+07 1.61 -3.500E+01 REV / 1.060E+08 1.43 2.323E+04 / NC5H12+OH = C5H11-3+H2O 4.670E+07 1.61 -3.500E+01 REV / 1.063E+08 1.43 2.323E+04 / NC5H12+O = C5H11-1+OH 2.092E+06 2.42 4.766E+03 REV / 5.099E+01 3.23 6.181E+03 / NC5H12+O = C5H11-2+OH 1.189E+06 2.44 2.846E+03 REV / 1.369E+05 2.26 8.862E+03 / NC5H12+CH3 = C5H11-1+CH4 9.040E-01 3.65 7.154E+03 REV / 1.311E-03 4.45 1.114E+04 / NC5H12+CH3 = C5H11-2+CH4 1.680E+05 2.13 7.574E+03 REV / 1.150E+06 1.96 1.617E+04 / NC5H12+CH3 = C5H11-3+CH4 8.400E+04 2.13 7.574E+03 REV / 1.153E+06 1.96 1.617E+04 / NC5H12+HO2 = C5H11-1+H2O2 1.680E+13 0.00 2.044E+04 REV / 2.396E+10 0.48 7.645E+03 / NC5H12+HO2 = C5H11-2+H2O2 1.120E+13 0.00 1.769E+04 REV / 7.545E+13 -0.50 9.493E+03 / NC5H12+HO2 = C5H11-3+H2O2 5.600E+12 0.00 1.769E+04 REV / 7.565E+13 -0.50 9.495E+03 / NC5H12+C2H5 = C5H11-1+C2H6 1.000E+11 0.00 1.340E+04 REV / 3.200E+11 0.00 1.230E+04 / NC5H12+C2H5 = C5H11-2+C2H6 1.000E+11 0.00 1.040E+04 REV / 1.000E+11 0.00 1.290E+04 / NC5H12+C2H5 = C5H11-3+C2H6 5.000E+10 0.00 1.040E+04 REV / 1.000E+11 0.00 1.290E+04 / NC5H12+C2H3 = C5H11-1+C2H4 1.000E+12 0.00 1.800E+04 REV / 2.600E+12 0.00 2.540E+04 / NC5H12+C2H3 = C5H11-2+C2H4 8.000E+11 0.00 1.680E+04 REV / 2.000E+12 0.00 2.420E+04 / NC5H12+C2H3 = C5H11-3+C2H4 4.000E+11 0.00 1.680E+04 REV / 2.000E+12 0.00 2.420E+04 / NC5H12+C5H11-1 = C5H11-2+NC5H12 1.000E+11 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / NC5H12+C5H11-1 = C5H11-3+NC5H12 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / NC5H12+C5H11-2 = C5H11-3+NC5H12 5.000E+10 0.00 1.040E+04 REV / 1.000E+11 0.00 1.040E+04 / NC5H12+O = C5H11-3+OH 5.946E+05 2.44 2.846E+03 REV / 1.373E+05 2.26 8.864E+03 / NC5H12+CH3O = C5H11-1+CH3OH 3.000E+11 0.00 7.000E+03 REV / 1.200E+10 0.00 9.200E+03 / NC5H12+CH3O = C5H11-2+CH3OH 2.200E+11 0.00 5.000E+03 REV / 9.000E+09 0.00 7.200E+03 / NC5H12+CH3O = C5H11-3+CH3OH 1.100E+11 0.00 5.000E+03 REV / 9.000E+09 0.00 7.200E+03 / NC5H12+O2 = C5H11-1+HO2 4.200E+13 0.00 5.281E+04 REV / 4.234E+07 1.13 -1.167E+03 / NC5H12+O2 = C5H11-2+HO2 2.800E+13 0.00 5.016E+04 REV / 1.333E+11 0.15 7.840E+02 / NC5H12+O2 = C5H11-3+HO2 1.400E+13 0.00 5.016E+04 REV / 1.337E+11 0.15 7.860E+02 / C5H11-1 = C2H4+NC3H7 7.972E+17 -1.44 2.979E+04 REV / 3.300E+11 0.00 7.200E+03 / C5H11-1 = H+C5H10-1 3.483E+15 -0.66 3.788E+04 REV / 1.000E+13 0.00 2.900E+03 / C5H11-1+O2 = C5H10-1+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / C5H11-1 = C5H11-2 3.875E+09 0.35 1.976E+04 REV / 1.830E+13 -0.63 2.436E+04 / C5H11-2 = C3H6+C2H5 3.026E+21 -2.26 3.096E+04 REV / 3.300E+11 0.00 7.200E+03 / C5H11-2 = C5H10-1+H 1.645E+19 -1.64 4.078E+04 REV / 1.000E+13 0.00 1.200E+03 / C5H11-2 = C5H10-2+H 4.729E+20 -2.24 3.963E+04 REV / 1.000E+13 0.00 2.900E+03 / C5H11-2+O2 = C5H10-1+HO2 4.500E-19 0.00 5.020E+03 REV / 2.000E-19 0.00 1.750E+04 / C5H11-2+O2 = C5H10-2+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / C5H11-3 = C4H8-1+CH3 6.462E+19 -1.93 3.073E+04 REV / 3.300E+11 0.00 7.200E+03 / C5H11-3 = C5H10-2+H 9.483E+20 -2.24 3.963E+04 REV / 1.000E+13 0.00 2.900E+03 / C5H11-3+O2 = C5H10-2+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / C5H10-2 = CH3+C4H7 1.000E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C5H10-2+H = C5H9+H2 2.900E+13 0.00 4.000E+03 REV / 1.000E+12 0.00 1.400E+04 / C5H10-2+O = C5H9+OH 2.430E+05 2.56 -1.130E+03 REV / 7.000E+11 0.00 2.990E+04 / C5H10-2+OH = C5H9+H2O 4.300E+13 0.00 3.060E+03 REV / 5.000E+12 0.00 2.650E+04 / C5H10-2+CH3 = C5H9+CH4 1.000E+11 0.00 8.200E+03 REV / 6.000E+11 0.00 1.880E+04 / NEOC5H12 = TC4H9+CH3 1.735E+22 -1.62 8.402E+04 REV / 4.000E+12 0.00 -5.960E+02 / NEOC5H12 = NEOC5H11+H 1.513E+19 -0.83 1.020E+05 REV / 1.000E+14 0.00 0.000E+00 / NEOC5H12+H = NEOC5H11+H2 9.788E+05 2.77 8.147E+03 REV / 1.220E+05 2.60 1.357E+04 / NEOC5H12+O = NEOC5H11+OH 1.140E+04 3.05 3.123E+03 REV / 6.243E+02 2.88 6.447E+03 / NEOC5H12+OH = NEOC5H11+H2O 3.162E+07 1.80 2.981E+02 REV / 1.707E+07 1.63 2.087E+04 / NEOC5H12+CH3 = NEOC5H11+CH4 5.680E-14 8.06 4.150E+03 REV / 1.850E-13 7.89 1.005E+04 / NEOC5H12+HO2 = NEOC5H11+H2O2 3.360E+13 0.00 2.043E+04 REV / 1.077E+14 -0.50 9.541E+03 / NEOC5H12+CH3O = NEOC5H11+CH3OH 6.400E+11 0.00 7.000E+03 REV / 1.200E+10 0.00 9.200E+03 / NEOC5H12+O2 = NEOC5H11+HO2 4.950E+13 0.00 4.900E+04 REV / 2.500E+12 0.00 0.000E+00 / NEOC5H12+C2H5 = NEOC5H11+C2H6 2.000E+11 0.00 1.340E+04 REV / 3.200E+11 0.00 1.230E+04 / NEOC5H12+C2H3 = NEOC5H11+C2H4 2.000E+12 0.00 1.800E+04 REV / 2.600E+12 0.00 2.540E+04 / NEOC5H11 = IC4H8+CH3 3.056E+17 -1.20 3.229E+04 REV / 1.350E+11 0.00 1.160E+04 / AC5H10+OH = SC4H9+CH2O 2.000E+10 0.00 -4.000E+03 REV / 0.000E+00 0.00 2.000E+04 / BC5H10+OH = IC3H7+CH3CHO 2.000E+10 0.00 -4.000E+03 REV / 0.000E+00 0.00 2.000E+04 / CC5H10+OH = IC4H9+CH2O 2.000E+10 0.00 -4.000E+03 REV / 0.000E+00 0.00 2.000E+04 / AC5H10+O = SC4H9+HCO 2.000E+10 0.00 -1.050E+03 REV / 0.000E+00 2.34 8.030E+04 / AC5H10+O = IC3H7+CH3CO 2.000E+10 0.00 -1.050E+03 REV / 0.000E+00 2.34 8.030E+04 / AC5H10+O = IC4H9+HCO 2.000E+10 0.00 -1.050E+03 REV / 0.000E+00 2.34 8.030E+04 / NC5H12 = C5H11-1+H 1.227E+22 -1.80 1.039E+05 REV / 3.610E+13 0.00 0.000E+00 / NC5H12 = C5H11-2+H 2.597E+18 -0.82 9.933E+04 REV / 3.610E+13 0.00 0.000E+00 / NC5H12 = C5H11-3+H 1.295E+18 -0.82 9.933E+04 REV / 3.610E+13 0.00 0.000E+00 / IC5H12+AC5H11 = BC5H11+IC5H12 2.500E+10 0.00 7.900E+03 REV / 1.500E+11 0.00 1.230E+04 / IC5H12+AC5H11 = CC5H11+IC5H12 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / IC5H12+AC5H11 = DC5H11+IC5H12 7.500E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.230E+04 / IC5H12+BC5H11 = CC5H11+IC5H12 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / IC5H12+BC5H11 = DC5H11+IC5H12 7.500E+10 0.00 1.230E+04 REV / 2.500E+10 0.00 7.900E+03 / IC5H12+CC5H11 = DC5H11+IC5H12 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / C4H10+PC4H9 = SC4H9+C4H10 1.000E+11 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / IC4H10+IC4H9 = TC4H9+IC4H10 2.500E+10 0.00 7.900E+03 REV / 2.250E+11 0.00 1.230E+04 / C2H5O+M = CH3+CH2O+M 1.350E+38 -6.96 2.380E+04 REV / 6.442E+36 -6.99 1.685E+04 / C2H5OH+OH = C2H5O+H2O 7.460E+11 0.30 1.634E+03 REV / 3.956E+13 -0.14 1.852E+04 / C2H5OH+H = C2H5O+H2 1.500E+07 1.60 3.038E+03 REV / 1.837E+08 1.17 4.772E+03 / C2H5OH+O = C2H5O+OH 1.580E+07 2.00 4.448E+03 REV / 8.500E+07 1.56 4.087E+03 / C2H5OH+CH3 = C2H5O+CH4 1.340E+02 2.92 7.452E+03 REV / 4.288E+04 2.48 9.666E+03 / SC2H4OH+O2 = CH3CHO+HO2 3.810E+06 2.00 1.641E+03 REV / 6.153E+05 2.24 2.297E+04 / C2H5O+O2 = CH3CHO+HO2 4.280E+10 0.00 1.097E+03 REV / 3.872E+08 0.44 3.188E+04 / H2O2+O2 = HO2+HO2 1.839E+14 -0.66 3.955E+04 REV / 1.300E+11 0.00 -1.629E+03 / DUPLICATE C2H3+O2 = CH2CHO+O 3.500E+14 -0.61 5.260E+03 REV / 2.589E+12 0.12 6.459E+03 / C2H5O2 = C2H5+O2 4.930E+50 -11.50 4.225E+04 REV / 1.090E+48 -11.54 1.022E+04 / CH3O2+M = CH3+O2+M 4.343E+27 -3.42 3.047E+04 REV / 5.440E+25 -3.30 0.000E+00 / CH3O2H = CH3O+OH 6.310E+14 0.00 4.230E+04 REV / 1.166E+11 0.60 -1.771E+03 / C2H5O2H = C2H5O+OH 6.310E+14 0.00 4.230E+04 REV / 8.314E+06 1.70 -3.207E+03 / C3H2+O2 = HCCO+CO+H 5.000E+13 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / CH3O2+CH2O = CH3O2H+HCO 1.990E+12 0.00 1.167E+04 REV / 8.504E+12 -0.50 7.009E+03 / C2H5O2+CH2O = C2H5O2H+HCO 1.990E+12 0.00 1.167E+04 REV / 8.422E+12 -0.51 6.605E+03 / C2H4+CH3O2 = C2H3+CH3O2H 1.130E+13 0.00 3.043E+04 REV / 3.000E+12 0.00 1.150E+04 / C2H4+C2H5O2 = C2H3+C2H5O2H 1.130E+13 0.00 3.043E+04 REV / 3.000E+12 0.00 1.150E+04 / CH4+CH3O2 = CH3+CH3O2H 1.810E+11 0.00 1.848E+04 REV / 3.708E+11 -0.50 -1.327E+03 / CH4+C2H5O2 = CH3+C2H5O2H 1.810E+11 0.00 1.848E+04 REV / 3.673E+11 -0.51 -1.731E+03 / CH3OH+CH3O2 = CH2OH+CH3O2H 1.810E+12 0.00 1.371E+04 REV / 1.038E+08 1.16 2.542E+03 / CH3OH+C2H5O2 = CH2OH+C2H5O2H 1.810E+12 0.00 1.371E+04 REV / 1.028E+08 1.15 2.138E+03 / C2H5+HO2 = C2H5O+OH 3.200E+13 0.00 0.000E+00 REV / 3.075E+15 -0.32 2.749E+04 / CH3O2+CH3 = CH3O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 2.971E+16 -0.93 2.831E+04 / CH3O2+C2H5 = CH3O+C2H5O 7.000E+12 0.00 -1.000E+03 REV / 6.569E+16 -0.90 3.126E+04 / CH3O2+HO2 = CH3O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.156E+13 -0.83 3.488E+04 / H2O2+OH = H2O+HO2 5.800E+14 0.00 9.560E+03 REV / 9.771E+13 0.33 4.102E+04 / DUPLICATE C2H5O2+HO2 = C2H5O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.106E+13 -0.83 3.448E+04 / CH3O2+CH3O2 = CH2O+CH3OH+O2 3.110E+14 -1.61 -1.051E+03 REV / 0.000E+00 0.00 0.000E+00 / CH3O2+CH3O2 = O2+CH3O+CH3O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C2H6+CH3O2 = C2H5+CH3O2H 1.700E+13 0.00 2.046E+04 REV / 7.500E+11 0.00 1.280E+03 / C2H6+C2H5O2 = C2H5+C2H5O2H 1.700E+13 0.00 2.046E+04 REV / 7.500E+11 0.00 1.280E+03 / O2C2H4OH = PC2H4OH+O2 3.900E+16 -1.00 3.000E+04 REV / 1.200E+11 0.00 -1.100E+03 / O2C2H4OH = OH+CH2O+CH2O 1.250E+10 0.00 1.890E+04 REV / 0.000E+00 0.00 0.000E+00 / C2H5O2 = C2H4O2H 5.640E+47 -11.44 3.732E+04 REV / 6.990E+48 -12.22 2.585E+04 / C2H4O2H = C2H4O1-2+OH 4.250E+22 -4.18 2.235E+04 REV / 0.000E+00 0.00 0.000E+00 / CH3CO3 = CH3CO+O2 4.625E+19 -1.90 3.956E+04 REV / 1.200E+11 0.00 -1.100E+03 / CH3CO2+M = CH3+CO2+M 4.400E+15 0.00 1.050E+04 REV / 9.648E+12 0.20 2.104E+04 / CH3CO3H = CH3CO2+OH 5.010E+14 0.00 4.015E+04 REV / 1.738E+08 1.57 1.305E+03 / CH3CO3+HO2 = CH3CO3H+O2 1.750E+10 0.00 -3.275E+03 REV / 4.093E+12 -0.33 3.904E+04 / C2H5O+M = CH3CHO+H+M 1.160E+35 -5.89 2.527E+04 REV / 3.063E+30 -4.78 6.100E+03 / H2O2+CH3CO3 = HO2+CH3CO3H 2.410E+12 0.00 9.936E+03 REV / 3.984E+11 0.32 1.107E+04 / CH4+CH3CO3 = CH3+CH3CO3H 1.810E+11 0.00 1.848E+04 REV / 2.944E+10 0.00 2.831E+03 / C2H4+CH3CO3 = C2H3+CH3CO3H 1.130E+13 0.00 3.043E+04 REV / 3.264E+15 -0.83 1.591E+04 / C2H6+CH3CO3 = C2H5+CH3CO3H 1.700E+13 0.00 2.046E+04 REV / 1.767E+10 0.56 8.980E+03 / CH2O+CH3CO3 = HCO+CH3CO3H 1.990E+12 0.00 1.167E+04 REV / 6.752E+11 0.00 1.117E+04 / C3H6+CH3CO3 = C3H5-A+CH3CO3H 3.240E+11 0.00 1.490E+04 REV / 2.000E+10 0.00 1.500E+04 / CH3O2+CH3CHO = CH3O2H+CH3CO 3.010E+12 0.00 1.193E+04 REV / 2.519E+13 -0.51 8.991E+03 / CH3CHO+CH3CO3 = CH3CO+CH3CO3H 3.010E+12 0.00 1.193E+04 REV / 2.000E+12 -0.02 1.315E+04 / C2H3CO = C2H3+CO 3.043E+14 -0.46 3.051E+04 REV / 1.510E+11 0.00 4.810E+03 / C2H3CHO+OH = C2H3CO+H2O 9.240E+06 1.50 -9.620E+02 REV / 2.147E+07 1.48 3.551E+04 / C2H3CHO+H = C2H3CO+H2 1.340E+13 0.00 3.300E+03 REV / 7.191E+12 -0.02 2.462E+04 / C2H3CHO+O = C2H3CO+OH 5.940E+12 0.00 1.868E+03 REV / 1.400E+12 -0.02 2.109E+04 / C2H3CHO+HO2 = C2H3CO+H2O2 3.010E+12 0.00 1.193E+04 REV / 4.152E+13 -0.35 1.694E+04 / C2H3CHO+CH3 = C2H3CO+CH4 2.608E+06 1.78 5.911E+03 REV / 3.656E+07 1.76 2.771E+04 / C2H3CHO+CH3O2 = C2H3CO+CH3O2H 3.010E+12 0.00 1.193E+04 REV / 8.645E+13 -0.53 1.392E+04 / C3H5O = C2H3CHO+H 1.000E+14 0.00 2.910E+04 REV / 7.714E+11 0.48 1.775E+04 / C3H5O = C2H3+CH2O 2.028E+12 0.09 2.356E+04 REV / 1.500E+11 0.00 1.060E+04 / C3H5O+O2 = C2H3CHO+HO2 1.000E+12 0.00 6.000E+03 REV / 1.288E+11 0.00 3.200E+04 / C3H5-A+HO2 = C3H5O+OH 7.000E+12 0.00 -1.000E+03 REV / 2.041E+13 -0.16 1.226E+04 / C3H5-A+CH3O2 = C3H5O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.994E+15 -0.74 1.702E+04 / C3H6+HO2 = C3H6O1-2+OH 1.290E+12 0.00 1.490E+04 REV / 1.000E-10 0.00 0.000E+00 / C3H6+CH3O2 = C3H5-A+CH3O2H 3.240E+11 0.00 1.490E+04 REV / 2.000E+10 0.00 1.500E+04 / C3H6O1-2 = C2H4+CH2O 6.000E+14 0.00 6.000E+04 REV / 2.970E+11 0.00 5.000E+04 / C3H6O1-2+OH = CH2O+C2H3+H2O 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C3H6O1-2+H = CH2O+C2H3+H2 2.630E+07 2.00 5.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C3H6O1-2+O = CH2O+C2H3+OH 8.430E+13 0.00 5.200E+03 REV / 0.000E+00 0.00 0.000E+00 / C3H6O1-2+HO2 = CH2O+C2H3+H2O2 1.000E+13 0.00 1.500E+04 REV / 0.000E+00 0.00 0.000E+00 / C3H6O1-2+CH3O2 = CH2O+C2H3+CH3O2H 1.000E+13 0.00 1.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C3H6O1-2+CH3 = CH2O+C2H3+CH4 2.000E+11 0.00 1.000E+04 REV / 0.000E+00 0.00 0.000E+00 / C2H4O2H = C2H4+HO2 9.290E+30 -6.10 1.993E+04 REV / 1.906E+27 -4.96 1.451E+04 / C2H4+CH3O2 = C2H4O1-2+CH3O 2.820E+12 0.00 1.711E+04 REV / 0.000E+00 0.00 0.000E+00 / C2H4+C2H5O2 = C2H4O1-2+C2H5O 2.820E+12 0.00 1.711E+04 REV / 0.000E+00 0.00 0.000E+00 / C2H4O1-2 = CH3+HCO 3.630E+13 0.00 5.720E+04 REV / 4.818E+09 0.02 2.122E+03 / C2H4O1-2 = CH3CHO 7.407E+12 0.00 5.380E+04 REV / 1.285E+11 0.16 7.927E+04 / C2H4O1-2+OH = C2H3O1-2+H2O 1.780E+13 0.00 3.610E+03 REV / 1.195E+12 0.16 2.695E+04 / C2H4O1-2+H = C2H3O1-2+H2 8.000E+13 0.00 9.680E+03 REV / 1.240E+12 0.16 1.786E+04 / C2H4O1-2+HO2 = C2H3O1-2+H2O2 1.130E+13 0.00 3.043E+04 REV / 4.502E+12 -0.17 2.230E+04 / C2H4O1-2+CH3O2 = C2H3O1-2+CH3O2H 1.130E+13 0.00 3.043E+04 REV / 9.376E+12 -0.34 1.928E+04 / C2H4O1-2+C2H5O2 = C2H3O1-2+C2H5O2H 1.130E+13 0.00 3.043E+04 REV / 9.286E+12 -0.34 1.888E+04 / C2H4O1-2+CH3 = C2H3O1-2+CH4 1.070E+12 0.00 1.183E+04 REV / 4.334E+11 0.16 2.049E+04 / C2H4O1-2+CH3O = C2H3O1-2+CH3OH 1.200E+11 0.00 6.750E+03 REV / 8.969E+08 0.19 1.320E+04 / C3H6OOH1-2 = C3H6O1-2+OH 1.250E+15 -1.19 1.758E+04 REV / 4.965E+08 1.03 2.909E+04 / C3H6OOH1-3 = C3H6O1-3+OH 4.310E+15 -1.31 1.824E+04 REV / 1.192E+18 -1.52 3.377E+04 / C3H6OOH2-1 = C3H6O1-2+OH 3.460E+16 -1.61 1.887E+04 REV / 2.787E+17 -1.52 3.309E+04 / C3H6OOH1-2 = C3H6+HO2 5.500E+14 -0.85 1.526E+04 REV / 6.466E+10 0.20 8.279E+03 / C3H6OOH2-1 = C3H6+HO2 2.440E+19 -2.14 1.823E+04 REV / 5.818E+22 -3.23 1.396E+04 / C3H6OOH1-2O2 = C3H6OOH1-2+O2 2.391E+25 -2.94 4.010E+04 REV / 5.000E+12 0.00 0.000E+00 / C3H6OOH1-3O2 = C3H6OOH1-3+O2 2.853E+20 -1.63 3.569E+04 REV / 4.520E+12 0.00 0.000E+00 / C3H6OOH2-1O2 = C3H6OOH2-1+O2 5.227E+22 -2.24 3.782E+04 REV / 4.520E+12 0.00 0.000E+00 / C3H6OOH1-2O2 = C3KET12+OH 2.000E+11 0.00 2.640E+04 REV / 1.481E+05 1.14 4.889E+04 / C3H6OOH1-3O2 = C3KET13+OH 2.500E+10 0.00 2.140E+04 REV / 6.568E+03 1.31 4.471E+04 / C3H6OOH2-1O2 = C3KET21+OH 1.000E+11 0.00 2.385E+04 REV / 2.238E+03 1.65 4.972E+04 / C3H6OOH1-3 = OH+CH2O+C2H4 1.160E+17 -1.10 3.257E+04 REV / 0.000E+00 0.00 0.000E+00 / NC3H7O = C2H5+CH2O 1.394E+16 -0.87 1.977E+04 REV / 1.000E+11 0.00 1.190E+04 / IC3H7O = CH3+CH3CHO 3.845E+17 -1.25 2.049E+04 REV / 1.500E+11 0.00 1.290E+04 / IC3H7O = CH3COCH3+H 2.000E+14 0.00 2.150E+04 REV / 7.888E+12 0.25 6.810E+03 / NC3H7O = C2H5CHO+H 2.510E+14 0.00 2.340E+04 REV / 4.149E+09 1.14 4.470E+03 / IC3H7O+O2 = CH3COCH3+HO2 9.090E+09 0.00 3.900E+02 REV / 1.000E+11 0.00 3.200E+04 / NC3H7O2H = NC3H7O+OH 1.500E+16 0.00 4.250E+04 REV / 1.744E+08 1.72 -3.025E+03 / IC3H7O2H = IC3H7O+OH 9.450E+15 0.00 4.160E+04 REV / 1.362E+08 1.69 -4.185E+03 / NC3H7O2+CH2O = NC3H7O2H+HCO 5.600E+12 0.00 1.360E+04 REV / 8.000E+11 0.00 1.000E+04 / NC3H7O2+CH3CHO = NC3H7O2H+CH3CO 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC3H7O2+CH2O = IC3H7O2H+HCO 5.600E+12 0.00 1.360E+04 REV / 8.000E+11 0.00 1.000E+04 / IC3H7O2+CH3CHO = IC3H7O2H+CH3CO 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / NC3H7O2+HO2 = NC3H7O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.104E+13 -0.83 3.447E+04 / IC3H7O2+HO2 = IC3H7O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.123E+13 -0.83 3.447E+04 / C2H4+NC3H7O2 = C2H3+NC3H7O2H 1.130E+13 0.00 3.043E+04 REV / 3.000E+12 0.00 1.150E+04 / C2H4+IC3H7O2 = C2H3+IC3H7O2H 1.130E+13 0.00 3.043E+04 REV / 3.000E+12 0.00 1.150E+04 / CH3OH+NC3H7O2 = CH2OH+NC3H7O2H 6.300E+12 0.00 1.936E+04 REV / 1.000E+09 0.00 1.000E+04 / CH3OH+IC3H7O2 = CH2OH+IC3H7O2H 6.300E+12 0.00 1.936E+04 REV / 1.000E+09 0.00 1.000E+04 / C2H3CHO+NC3H7O2 = C2H3CO+NC3H7O2H 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / C2H3CHO+IC3H7O2 = C2H3CO+IC3H7O2H 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / CH4+NC3H7O2 = CH3+NC3H7O2H 1.120E+13 0.00 2.464E+04 REV / 7.430E+11 0.00 5.500E+03 / CH4+IC3H7O2 = CH3+IC3H7O2H 1.120E+13 0.00 2.464E+04 REV / 7.430E+11 0.00 5.500E+03 / CH3+OH = CH2(S)+H2O 2.650E+13 0.00 2.186E+03 REV / 3.236E+10 0.89 1.211E+03 / CH3OH+O2 = CH2OH+HO2 2.050E+13 0.00 4.490E+04 REV / 3.989E+05 1.99 -4.424E+03 / NC3H7O2+CH3O2 = NC3H7O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC3H7O2+CH3O2 = IC3H7O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / H2+NC3H7O2 = H+NC3H7O2H 3.010E+13 0.00 2.603E+04 REV / 4.800E+13 0.00 7.950E+03 / H2+IC3H7O2 = H+IC3H7O2H 3.010E+13 0.00 2.603E+04 REV / 4.800E+13 0.00 7.950E+03 / NC3H7O2 = C3H6OOH1-2 2.000E+11 0.00 2.685E+04 REV / 1.905E+12 -0.17 1.765E+04 / NC3H7O2 = C3H6OOH1-3 3.750E+10 0.00 2.440E+04 REV / 5.312E+12 -0.56 1.118E+04 / IC3H7O2 = C3H6OOH2-1 6.000E+11 0.00 2.940E+04 REV / 3.741E+09 0.12 1.181E+04 / IC3H7O2+C2H6 = IC3H7O2H+C2H5 1.700E+13 0.00 2.046E+04 REV / 2.211E+11 0.06 4.410E+03 / NC3H7O2+C2H6 = NC3H7O2H+C2H5 1.700E+13 0.00 2.046E+04 REV / 2.203E+11 0.06 4.410E+03 / IC3H7O2+C2H5CHO = IC3H7O2H+C2H5CO 2.000E+11 0.00 9.500E+03 REV / 5.000E+09 0.00 1.000E+04 / NC3H7O2+C2H5CHO = NC3H7O2H+C2H5CO 2.000E+11 0.00 9.500E+03 REV / 5.000E+09 0.00 1.000E+04 / IC3H7O2+CH3CO3 = IC3H7O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / NC3H7O2+CH3CO3 = NC3H7O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC3H7O2+C2H5O2 = IC3H7O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / NC3H7O2+C2H5O2 = NC3H7O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC3H7O2+IC3H7O2 = O2+IC3H7O+IC3H7O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / NC3H7O2+NC3H7O2 = O2+NC3H7O+NC3H7O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC3H7O2+NC3H7O2 = IC3H7O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC3H7O2+CH3 = IC3H7O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 2.303E+12 0.16 2.619E+04 / IC3H7O2+C2H5 = IC3H7O+C2H5O 7.000E+12 0.00 -1.000E+03 REV / 5.092E+12 0.18 2.913E+04 / IC3H7O2+IC3H7 = IC3H7O+IC3H7O 7.000E+12 0.00 -1.000E+03 REV / 8.312E+10 0.74 2.964E+04 / IC3H7O2+NC3H7 = IC3H7O+NC3H7O 7.000E+12 0.00 -1.000E+03 REV / 1.338E+13 0.07 2.962E+04 / IC3H7O2+PC4H9 = IC3H7O+PC4H9O 7.000E+12 0.00 -1.000E+03 REV / 2.306E+13 0.02 2.936E+04 / IC3H7O2+SC4H9 = IC3H7O+SC4H9O 7.000E+12 0.00 -1.000E+03 REV / 5.405E+10 0.69 2.932E+04 / IC3H7O2+IC4H9 = IC3H7O+IC4H9O 7.000E+12 0.00 -1.000E+03 REV / 9.558E+13 -0.21 2.932E+04 / IC3H7O2+TC4H9 = IC3H7O+TC4H9O 7.000E+12 0.00 -1.000E+03 REV / 2.671E+17 -1.12 3.213E+04 / IC3H7O2+C3H5-A = IC3H7O+C3H5O 7.000E+12 0.00 -1.000E+03 REV / 1.546E+11 0.34 1.490E+04 / IC3H7O2+C4H7 = IC3H7O+C4H7O 7.000E+12 0.00 -1.000E+03 REV / 7.631E+08 0.77 1.953E+04 / IC3H7O2+IC4H7 = IC3H7O+IC4H7O 7.000E+12 0.00 -1.000E+03 REV / 1.652E+11 0.33 1.469E+04 / NC3H7O2+CH3 = NC3H7O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.851E+12 0.19 2.645E+04 / NC3H7O2+C2H5 = NC3H7O+C2H5O 7.000E+12 0.00 -1.000E+03 REV / 4.093E+12 0.22 2.939E+04 / NC3H7O2+IC3H7 = NC3H7O+IC3H7O 7.000E+12 0.00 -1.000E+03 REV / 6.680E+10 0.77 2.990E+04 / NC3H7O2+NC3H7 = NC3H7O+NC3H7O 7.000E+12 0.00 -1.000E+03 REV / 1.075E+13 0.10 2.988E+04 / NC3H7O2+PC4H9 = NC3H7O+PC4H9O 7.000E+12 0.00 -1.000E+03 REV / 1.853E+13 0.05 2.962E+04 / NC3H7O2+SC4H9 = NC3H7O+SC4H9O 7.000E+12 0.00 -1.000E+03 REV / 4.344E+10 0.72 2.958E+04 / NC3H7O2+IC4H9 = NC3H7O+IC4H9O 7.000E+12 0.00 -1.000E+03 REV / 7.681E+13 -0.18 2.958E+04 / NC3H7O2+TC4H9 = NC3H7O+TC4H9O 7.000E+12 0.00 -1.000E+03 REV / 2.147E+17 -1.09 3.239E+04 / NC3H7O2+C3H5-A = NC3H7O+C3H5O 7.000E+12 0.00 -1.000E+03 REV / 1.242E+11 0.37 1.516E+04 / NC3H7O2+C4H7 = NC3H7O+C4H7O 7.000E+12 0.00 -1.000E+03 REV / 6.133E+08 0.80 1.979E+04 / NC3H7O2+IC4H7 = NC3H7O+IC4H7O 7.000E+12 0.00 -1.000E+03 REV / 1.328E+11 0.37 1.495E+04 / C3H6+C2H5O2 = C3H5-A+C2H5O2H 3.240E+11 0.00 1.490E+04 REV / 2.000E+10 0.00 1.500E+04 / C3H6+NC3H7O2 = C3H5-A+NC3H7O2H 3.240E+11 0.00 1.490E+04 REV / 2.000E+10 0.00 1.500E+04 / C3H6+IC3H7O2 = C3H5-A+IC3H7O2H 3.240E+11 0.00 1.490E+04 REV / 2.000E+10 0.00 1.500E+04 / IC4H9O2+C3H6 = IC4H9O2H+C3H5-A 3.240E+11 0.00 1.490E+04 REV / 2.000E+10 0.00 1.500E+04 / TC4H9O2+C3H6 = TC4H9O2H+C3H5-A 3.240E+11 0.00 1.490E+04 REV / 2.000E+10 0.00 1.500E+04 / NC3H7O2 = NC3H7+O2 3.364E+19 -1.32 3.576E+04 REV / 4.520E+12 0.00 0.000E+00 / IC3H7O2 = IC3H7+O2 2.803E+17 -0.62 3.604E+04 REV / 7.540E+12 0.00 0.000E+00 / NC3H7+HO2 = NC3H7O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.767E+15 -0.44 2.698E+04 / IC3H7+HO2 = IC3H7O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.098E+13 0.23 2.700E+04 / CH3O2+NC3H7 = CH3O+NC3H7O 7.000E+12 0.00 -1.000E+03 REV / 1.725E+17 -1.02 3.174E+04 / CH3O2+IC3H7 = CH3O+IC3H7O 7.000E+12 0.00 -1.000E+03 REV / 1.072E+15 -0.35 3.176E+04 / CH3O2+C3H8 = CH3O2H+NC3H7 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / CH3O2+C3H8 = CH3O2H+IC3H7 2.000E+12 0.00 1.700E+04 REV / 5.000E+11 0.00 6.500E+03 / C2H5O2+C3H8 = C2H5O2H+NC3H7 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / C2H5O2+C3H8 = C2H5O2H+IC3H7 2.000E+12 0.00 1.700E+04 REV / 5.000E+11 0.00 6.500E+03 / NC3H7O2+C3H8 = NC3H7O2H+NC3H7 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / NC3H7O2+C3H8 = NC3H7O2H+IC3H7 2.000E+12 0.00 1.700E+04 REV / 5.000E+11 0.00 6.500E+03 / IC3H7O2+C3H8 = IC3H7O2H+NC3H7 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / IC3H7O2+C3H8 = IC3H7O2H+IC3H7 2.000E+12 0.00 1.700E+04 REV / 5.000E+11 0.00 6.500E+03 / PC4H9O2+C3H8 = PC4H9O2H+NC3H7 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / PC4H9O2+C3H8 = PC4H9O2H+IC3H7 2.000E+12 0.00 1.700E+04 REV / 5.000E+11 0.00 6.500E+03 / SC4H9O2+C3H8 = SC4H9O2H+NC3H7 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / SC4H9O2+C3H8 = SC4H9O2H+IC3H7 2.000E+12 0.00 1.700E+04 REV / 5.000E+11 0.00 6.500E+03 / C3H8+CH3CO3 = IC3H7+CH3CO3H 2.000E+12 0.00 1.700E+04 REV / 2.000E+10 0.00 1.000E+04 / C3H8+CH3CO3 = NC3H7+CH3CO3H 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / C3H6O1-3 = C2H4+CH2O 6.000E+14 0.00 6.000E+04 REV / 2.970E+11 0.00 3.108E+04 / C3H6O1-3+OH = CH2O+C2H3+H2O 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C3H6O1-3+O = CH2O+C2H3+OH 8.430E+13 0.00 5.200E+03 REV / 0.000E+00 0.00 0.000E+00 / C3H6O1-3+H = CH2O+C2H3+H2 2.630E+07 2.00 5.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C3H6O1-3+CH3O2 = CH2O+C2H3+CH3O2H 1.000E+13 0.00 1.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C3H6O1-3+HO2 = CH2O+C2H3+H2O2 1.000E+13 0.00 1.500E+04 REV / 0.000E+00 0.00 0.000E+00 / C3H6O1-3+CH3 = CH2O+C2H3+CH4 2.000E+11 0.00 1.000E+04 REV / 0.000E+00 0.00 0.000E+00 / IC4H8O+OH = IC3H6CHO+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC4H8O+H = IC3H6CHO+H2 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC4H8O+HO2 = IC3H6CHO+H2O2 2.500E+12 0.00 1.500E+04 REV / 0.000E+00 0.00 0.000E+00 / IC4H8O+CH3O2 = IC3H6CHO+CH3O2H 2.500E+12 0.00 1.900E+04 REV / 0.000E+00 0.00 0.000E+00 / IC4H8O+CH3 = IC3H6CHO+CH4 5.000E+10 0.00 1.000E+04 REV / 0.000E+00 0.00 0.000E+00 / IC4H8O+O = IC3H6CHO+OH 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IO2C4H8OH = IC4H8OH+O2 1.917E+21 -2.35 3.579E+04 REV / 1.200E+11 0.00 -1.100E+03 / IO2C4H8OH = CH3COCH3+CH2O+OH 1.250E+10 0.00 1.890E+04 REV / 0.000E+00 0.00 0.000E+00 / IC4H8OH = IC4H8+OH 9.646E+13 -0.38 2.850E+04 REV / 9.930E+11 0.00 -9.600E+02 / IC4H9O2+IC4H8 = IC4H9O2H+IC4H7 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / TC4H9O2+IC4H8 = TC4H9O2H+IC4H7 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / IC3H7O2+IC4H8 = IC3H7O2H+IC4H7 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / NC3H7O2+IC4H8 = NC3H7O2H+IC4H7 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / PC4H9O2+IC4H8 = PC4H9O2H+IC4H7 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / SC4H9O2+IC4H8 = SC4H9O2H+IC4H7 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / C4H7O = CH3CHO+C2H3 7.940E+14 0.00 1.900E+04 REV / 1.000E+10 0.00 2.000E+04 / C4H7O = C2H3CHO+CH3 7.940E+14 0.00 1.900E+04 REV / 1.000E+10 0.00 2.000E+04 / C4H7+HO2 = C4H7O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.008E+11 0.26 1.689E+04 / C4H7+CH3O2 = C4H7O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 9.844E+12 -0.32 2.165E+04 / C4H7+C2H5O2 = C4H7O+C2H5O 7.000E+12 0.00 -1.000E+03 REV / 6.954E+08 0.78 1.981E+04 / C4H7+PC4H9O2 = C4H7O+PC4H9O 7.000E+12 0.00 -1.000E+03 REV / 5.779E+08 0.81 1.978E+04 / C4H7+SC4H9O2 = C4H7O+SC4H9O 7.000E+12 0.00 -1.000E+03 REV / 6.763E+08 0.78 1.951E+04 / C4H8OH-1O2 = C4H8OH-1+O2 1.829E+18 0.15 4.747E+04 REV / 2.000E+12 0.00 0.000E+00 / C4H8OH-2O2 = C4H8OH-2+O2 4.092E+19 -0.18 5.198E+04 REV / 2.000E+12 0.00 0.000E+00 / C4H8OH-1O2 = C2H5CHO+CH2O+OH 1.000E+16 0.00 2.500E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8OH-2O2 = OH+CH3CHO+CH3CHO 1.000E+16 0.00 2.500E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8-2+CH3CO3 = C4H7+CH3CO3H 1.000E+11 0.00 8.000E+03 REV / 2.000E+10 0.00 1.000E+04 / C4H8OH-2 = C4H8-2+OH 1.500E+13 0.00 2.583E+04 REV / 4.750E+12 0.00 -7.820E+02 / C4H8-2+CH3O2 = C4H7+CH3O2H 3.200E+12 0.00 1.490E+04 REV / 1.585E+11 0.00 1.470E+04 / C4H8-2+C2H5O2 = C4H7+C2H5O2H 3.200E+12 0.00 1.490E+04 REV / 1.585E+11 0.00 1.470E+04 / C4H8-2+NC3H7O2 = C4H7+NC3H7O2H 3.200E+12 0.00 1.490E+04 REV / 1.585E+11 0.00 1.470E+04 / C4H8-2+IC3H7O2 = C4H7+IC3H7O2H 3.200E+12 0.00 1.490E+04 REV / 1.585E+11 0.00 1.470E+04 / C4H8-2+PC4H9O2 = C4H7+PC4H9O2H 3.200E+12 0.00 1.490E+04 REV / 1.585E+11 0.00 1.470E+04 / C4H8-2+SC4H9O2 = C4H7+SC4H9O2H 3.200E+12 0.00 1.490E+04 REV / 1.585E+11 0.00 1.470E+04 / C4H8-2+HO2 = C4H8O2-3+OH 5.620E+11 0.00 1.231E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8-2+CH3O2 = C4H8O2-3+CH3O 5.620E+11 0.00 1.231E+04 REV / 0.000E+00 0.00 0.000E+00 / IC4H9O2+C4H8-2 = IC4H9O2H+C4H7 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / TC4H9O2+C4H8-2 = TC4H9O2H+C4H7 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / C4H8-1+OH = NC3H7+CH2O 1.000E+12 0.00 0.000E+00 REV / 1.620E+12 0.00 1.323E+04 / C4H8-1+O = C3H6+CH2O 7.230E+05 2.34 -1.050E+03 REV / 2.000E+05 2.34 8.028E+04 / C4H8-1+O = CH3CHO+C2H4 1.300E+13 0.00 8.500E+02 REV / 2.070E+12 0.00 8.510E+04 / C4H8-1+O = CH3CO+C2H5 1.300E+13 0.00 8.500E+02 REV / 2.350E+12 0.00 3.815E+04 / C4H8-1+OH = CH3CHO+C2H5 1.000E+12 0.00 0.000E+00 REV / 9.330E+12 0.00 1.993E+04 / C4H8-1+OH = CH3CO+C2H6 5.000E+11 0.00 0.000E+00 REV / 9.830E+12 0.00 3.243E+04 / C4H8-1+O = C2H5CHO+CH2 1.300E+13 0.00 8.500E+02 REV / 5.710E+09 0.00 1.100E+04 / C4H8-1+O = C2H5CO+CH3 1.300E+13 0.00 8.500E+02 REV / 4.800E+11 0.00 3.255E+04 / C4H8-1+OH = C2H5CHO+CH3 1.000E+12 0.00 0.000E+00 REV / 4.950E+10 0.00 1.694E+04 / C4H8-1+OH = C2H5CO+CH4 5.000E+11 0.00 0.000E+00 REV / 2.200E+13 0.00 3.427E+04 / C4H8-1+CH3CO3 = C4H7+CH3CO3H 1.000E+11 0.00 8.000E+03 REV / 2.000E+10 0.00 1.000E+04 / C4H8OH-1 = C4H8-1+OH 1.500E+13 0.00 2.583E+04 REV / 4.750E+12 0.00 -7.820E+02 / C4H8-1+CH3O2 = C4H7+CH3O2H 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / C4H8-1+C2H5O2 = C4H7+C2H5O2H 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / C4H8-1+NC3H7O2 = C4H7+NC3H7O2H 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / C4H8-1+IC3H7O2 = C4H7+IC3H7O2H 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / C4H8-1+PC4H9O2 = C4H7+PC4H9O2H 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / C4H8-1+SC4H9O2 = C4H7+SC4H9O2H 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / C4H8-1+HO2 = C4H8O1-2+OH 1.000E+12 0.00 1.434E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8-1+CH3O2 = C4H8O1-2+CH3O 1.000E+12 0.00 1.434E+04 REV / 0.000E+00 0.00 0.000E+00 / IC4H9O2+C4H8-1 = IC4H9O2H+C4H7 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / TC4H9O2+C4H8-1 = TC4H9O2H+C4H7 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / C4H8OOH1-2O2 = C4H8OOH1-2+O2 2.586E+24 -2.71 3.986E+04 REV / 7.540E+12 0.00 0.000E+00 / C4H8OOH1-3O2 = C4H8OOH1-3+O2 5.601E+22 -2.23 3.796E+04 REV / 7.540E+12 0.00 0.000E+00 / C4H8OOH1-4O2 = C4H8OOH1-4+O2 2.569E+20 -1.61 3.568E+04 REV / 4.520E+12 0.00 0.000E+00 / C4H8OOH2-1O2 = C4H8OOH2-1+O2 2.821E+20 -1.62 3.570E+04 REV / 4.520E+12 0.00 0.000E+00 / C4H8OOH2-3O2 = C4H8OOH2-3+O2 4.516E+22 -2.22 3.788E+04 REV / 7.540E+12 0.00 0.000E+00 / C4H8OOH2-4O2 = C4H8OOH2-4+O2 2.821E+20 -1.62 3.570E+04 REV / 4.520E+12 0.00 0.000E+00 / C4H8OOH1-2O2 = NC4KET12+OH 2.000E+11 0.00 2.640E+04 REV / 1.537E+05 1.14 4.890E+04 / C4H8OOH1-3O2 = NC4KET13+OH 2.500E+10 0.00 2.140E+04 REV / 6.893E+03 1.30 4.471E+04 / C4H8OOH1-4O2 = NC4KET14+OH 3.125E+09 0.00 1.935E+04 REV / 8.292E+02 1.31 4.266E+04 / C4H8OOH2-1O2 = NC4KET21+OH 1.000E+11 0.00 2.385E+04 REV / 1.742E+03 1.65 5.002E+04 / C4H8OOH2-3O2 = NC4KET23+OH 1.000E+11 0.00 2.385E+04 REV / 8.356E+03 1.54 4.910E+04 / C4H8OOH2-4O2 = NC4KET24+OH 1.250E+10 0.00 1.785E+04 REV / 4.907E+02 1.66 4.389E+04 / IC4H8OOH-IO2 = IC4H8O2H-I+O2 1.440E+20 -1.63 3.569E+04 REV / 2.260E+12 0.00 0.000E+00 / TC4H8OOH-IO2 = TC4H8O2H-I+O2 5.167E+22 -2.26 3.780E+04 REV / 2.260E+12 0.00 0.000E+00 / IC4H8OOH-TO2 = IC4H8O2H-T+O2 2.266E+27 -3.23 3.964E+04 REV / 1.410E+13 0.00 0.000E+00 / IC4H8OOH-IO2 = IC4KETII+OH 2.500E+10 0.00 2.140E+04 REV / 4.771E+03 1.27 4.439E+04 / IC4H8OOH-TO2 = IC4KETIT+OH 2.000E+11 0.00 2.640E+04 REV / 4.589E+05 1.05 4.870E+04 / C4H8OOH1-2 = C4H8-1+HO2 1.611E+17 -1.53 1.374E+04 REV / 1.250E+11 0.00 7.800E+03 / C4H8OOH2-1 = C4H8-1+HO2 8.853E+20 -2.62 1.790E+04 REV / 1.250E+11 0.00 7.800E+03 / C4H8OOH2-3 = C4H8-2+HO2 1.034E+20 -2.55 1.748E+04 REV / 1.250E+11 0.00 7.800E+03 / C4H8OOH1-2 = C4H8O1-2+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8OOH1-3 = C4H8O1-3+OH 5.000E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8OOH1-4 = C4H8O1-4+OH 6.250E+09 0.00 6.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C4H8OOH2-1 = C4H8O1-2+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8OOH2-3 = C4H8O2-3+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8OOH2-4 = C4H8O1-3+OH 5.000E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / TC4H8O2H-I = IC4H8+HO2 7.158E+19 -2.12 2.066E+04 REV / 3.970E+11 0.00 1.262E+04 / IC4H8O2H-T = IC4H8+HO2 1.018E+16 -1.15 1.882E+04 REV / 3.970E+11 0.00 1.262E+04 / IC4H8O2H-I = CC4H8O+OH 5.000E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / IC4H8O2H-T = IC4H8O+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / TC4H8O2H-I = IC4H8O+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8OOH1-3 = OH+CH2O+C3H6 6.637E+13 -0.16 2.990E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8OOH2-4 = OH+CH3CHO+C2H4 1.945E+18 -1.63 2.679E+04 REV / 0.000E+00 0.00 0.000E+00 / IC4H8O2H-I = OH+CH2O+C3H6 8.451E+15 -0.68 2.917E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-2+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-2+H = CH2O+C3H5-A+H2 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-2+O = CH2O+C3H5-A+OH 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-2+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-2+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-2+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-3+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-3+H = CH2O+C3H5-A+H2 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-3+O = CH2O+C3H5-A+OH 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-3+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-3+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-3+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-4+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-4+H = CH2O+C3H5-A+H2 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-4+O = CH2O+C3H5-A+OH 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-4+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-4+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8O1-4+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8O2-3+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C4H8O2-3+H = CH2O+C3H5-A+H2 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C4H8O2-3+O = CH2O+C3H5-A+OH 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C4H8O2-3+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8O2-3+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C4H8O2-3+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 REV / 0.000E+00 0.00 0.000E+00 / CC4H8O+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / CC4H8O+H = CH2O+C3H5-A+H2 3.510E+07 2.00 5.000E+03 REV / 0.000E+00 0.00 0.000E+00 / CC4H8O+O = CH2O+C3H5-A+OH 1.124E+14 0.00 5.200E+03 REV / 0.000E+00 0.00 0.000E+00 / CC4H8O+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 REV / 0.000E+00 0.00 0.000E+00 / CC4H8O+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 REV / 0.000E+00 0.00 0.000E+00 / CC4H8O+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 REV / 0.000E+00 0.00 0.000E+00 / PC4H9O = NC3H7+CH2O 5.806E+16 -0.99 2.026E+04 REV / 1.500E+11 0.00 1.190E+04 / SC4H9O = CH3+C2H5CHO 3.069E+17 -1.28 1.924E+04 REV / 1.500E+11 0.00 1.190E+04 / SC4H9O = C2H5+CH3CHO 1.278E+21 -2.15 2.040E+04 REV / 1.500E+11 0.00 1.190E+04 / IC4H9O = CH2O+IC3H7 2.000E+14 0.00 1.750E+04 REV / 2.157E+11 0.11 1.151E+04 / TC4H9O = CH3COCH3+CH3 4.865E+14 -0.25 1.524E+04 REV / 1.500E+11 0.00 1.190E+04 / TC4H9O+O2 = IC4H8O+HO2 8.100E+11 0.00 4.700E+03 REV / 1.000E+11 0.00 3.200E+04 / IC4H9O+O2 = IC3H7CHO+HO2 1.930E+11 0.00 1.660E+03 REV / 1.883E+09 0.40 3.262E+04 / PC4H9O2H = PC4H9O+OH 1.500E+16 0.00 4.250E+04 REV / 1.449E+08 1.74 -3.055E+03 / SC4H9O2H = SC4H9O+OH 9.450E+15 0.00 4.160E+04 REV / 1.205E+08 1.70 -4.215E+03 / TC4H9O2H = TC4H9O+OH 5.950E+15 0.00 4.254E+04 REV / 2.954E+07 1.72 -2.185E+03 / IC4H9O2H = IC4H9O+OH 1.500E+16 0.00 4.250E+04 REV / 1.663E+08 1.72 -3.245E+03 / C2H4+TC4H9O2 = C2H3+TC4H9O2H 7.000E+11 0.00 1.711E+04 REV / 1.000E+11 0.00 1.000E+04 / TC4H9O2+CH4 = TC4H9O2H+CH3 1.130E+13 0.00 2.046E+04 REV / 7.500E+08 0.00 1.280E+03 / H2+TC4H9O2 = H+TC4H9O2H 3.010E+13 0.00 2.603E+04 REV / 4.800E+13 0.00 7.950E+03 / TC4H9O2+C2H6 = TC4H9O2H+C2H5 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / TC4H9O2+C3H8 = TC4H9O2H+IC3H7 2.000E+12 0.00 1.700E+04 REV / 5.000E+11 0.00 6.500E+03 / TC4H9O2+C3H8 = TC4H9O2H+NC3H7 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / TC4H9O2+CH3OH = TC4H9O2H+CH2OH 6.300E+12 0.00 1.936E+04 REV / 1.000E+09 0.00 1.000E+04 / TC4H9O2+C2H5OH = TC4H9O2H+PC2H4OH 6.300E+12 0.00 1.936E+04 REV / 3.061E+12 0.00 2.210E+04 / TC4H9O2+C2H5OH = TC4H9O2H+SC2H4OH 4.200E+12 0.00 1.500E+04 REV / 2.040E+12 0.00 1.774E+04 / IC4H9O2+CH3CHO = IC4H9O2H+CH3CO 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / TC4H9O2+CH3CHO = TC4H9O2H+CH3CO 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC4H9O2+C2H3CHO = IC4H9O2H+C2H3CO 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / TC4H9O2+C2H3CHO = TC4H9O2H+C2H3CO 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC4H9O2+C2H5CHO = IC4H9O2H+C2H5CO 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / TC4H9O2+C2H5CHO = TC4H9O2H+C2H5CO 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC4H9O2+HO2 = IC4H9O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.107E+13 -0.83 3.448E+04 / TC4H9O2+HO2 = TC4H9O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.116E+13 -0.83 3.448E+04 / IC4H9O2+H2O2 = IC4H9O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / TC4H9O2+H2O2 = TC4H9O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / IC4H9O2+CH2O = IC4H9O2H+HCO 1.300E+11 0.00 9.000E+03 REV / 2.500E+10 0.00 1.010E+04 / TC4H9O2+CH2O = TC4H9O2H+HCO 1.300E+11 0.00 9.000E+03 REV / 2.500E+10 0.00 1.010E+04 / IC4H9O2+CH3O2 = IC4H9O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / TC4H9O2+CH3O2 = TC4H9O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC4H9O2+C2H5O2 = IC4H9O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / TC4H9O2+C2H5O2 = TC4H9O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC4H9O2+CH3CO3 = IC4H9O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / TC4H9O2+CH3CO3 = TC4H9O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC4H9O2+IC4H9O2 = O2+IC4H9O+IC4H9O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC4H9O2+TC4H9O2 = IC4H9O+TC4H9O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / TC4H9O2+TC4H9O2 = O2+TC4H9O+TC4H9O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC4H9O2+PC4H9O2 = IC4H9O+PC4H9O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / TC4H9O2+PC4H9O2 = TC4H9O+PC4H9O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC4H9O2+SC4H9O2 = IC4H9O+SC4H9O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / TC4H9O2+SC4H9O2 = TC4H9O+SC4H9O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC4H9O2+NC3H7O2 = IC4H9O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / TC4H9O2+NC3H7O2 = TC4H9O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC4H9O2+IC3H7O2 = IC4H9O+IC3H7O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / TC4H9O2+IC3H7O2 = TC4H9O+IC3H7O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC4H9O2+HO2 = IC4H9O+OH+O2 1.400E-14 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / TC4H9O2+HO2 = TC4H9O+OH+O2 1.400E-14 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / IC4H9O2+CH3 = IC4H9O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.766E+12 0.19 2.624E+04 / IC4H9O2+C2H5 = IC4H9O+C2H5O 7.000E+12 0.00 -1.000E+03 REV / 3.905E+12 0.22 2.918E+04 / IC4H9O2+IC3H7 = IC4H9O+IC3H7O 7.000E+12 0.00 -1.000E+03 REV / 6.374E+10 0.77 2.969E+04 / IC4H9O2+NC3H7 = IC4H9O+NC3H7O 7.000E+12 0.00 -1.000E+03 REV / 1.026E+13 0.11 2.967E+04 / IC4H9O2+PC4H9 = IC4H9O+PC4H9O 7.000E+12 0.00 -1.000E+03 REV / 1.768E+13 0.06 2.941E+04 / IC4H9O2+SC4H9 = IC4H9O+SC4H9O 7.000E+12 0.00 -1.000E+03 REV / 4.145E+10 0.73 2.937E+04 / IC4H9O2+IC4H9 = IC4H9O+IC4H9O 7.000E+12 0.00 -1.000E+03 REV / 7.329E+13 -0.17 2.937E+04 / IC4H9O2+TC4H9 = IC4H9O+TC4H9O 7.000E+12 0.00 -1.000E+03 REV / 2.049E+17 -1.08 3.218E+04 / IC4H9O2+C3H5-A = IC4H9O+C3H5O 7.000E+12 0.00 -1.000E+03 REV / 1.185E+11 0.38 1.495E+04 / IC4H9O2+C4H7 = IC4H9O+C4H7O 7.000E+12 0.00 -1.000E+03 REV / 5.852E+08 0.81 1.958E+04 / IC4H9O2+IC4H7 = IC4H9O+IC4H7O 7.000E+12 0.00 -1.000E+03 REV / 1.267E+11 0.37 1.474E+04 / TC4H9O2+CH3 = TC4H9O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 7.922E+11 0.19 2.726E+04 / TC4H9O2+C2H5 = TC4H9O+C2H5O 7.000E+12 0.00 -1.000E+03 REV / 1.752E+12 0.21 3.020E+04 / TC4H9O2+IC3H7 = TC4H9O+IC3H7O 7.000E+12 0.00 -1.000E+03 REV / 2.859E+10 0.77 3.071E+04 / TC4H9O2+NC3H7 = TC4H9O+NC3H7O 7.000E+12 0.00 -1.000E+03 REV / 4.601E+12 0.10 3.069E+04 / TC4H9O2+PC4H9 = TC4H9O+PC4H9O 7.000E+12 0.00 -1.000E+03 REV / 7.932E+12 0.05 3.043E+04 / TC4H9O2+SC4H9 = TC4H9O+SC4H9O 7.000E+12 0.00 -1.000E+03 REV / 1.859E+10 0.72 3.039E+04 / TC4H9O2+IC4H9 = TC4H9O+IC4H9O 7.000E+12 0.00 -1.000E+03 REV / 3.288E+13 -0.18 3.039E+04 / TC4H9O2+TC4H9 = TC4H9O+TC4H9O 7.000E+12 0.00 -1.000E+03 REV / 9.189E+16 -1.09 3.320E+04 / TC4H9O2+C3H5-A = TC4H9O+C3H5O 7.000E+12 0.00 -1.000E+03 REV / 5.317E+10 0.37 1.597E+04 / TC4H9O2+C4H7 = TC4H9O+C4H7O 7.000E+12 0.00 -1.000E+03 REV / 2.625E+08 0.80 2.060E+04 / TC4H9O2+IC4H7 = TC4H9O+IC4H7O 7.000E+12 0.00 -1.000E+03 REV / 5.683E+10 0.36 1.576E+04 / IC4H9O2 = IC4H8O2H-I 7.500E+10 0.00 2.440E+04 REV / 1.815E+11 -0.51 8.946E+03 / TC4H9O2 = TC4H8O2H-I 9.000E+11 0.00 2.940E+04 REV / 2.027E+09 0.12 1.184E+04 / IC4H9O2 = IC4H8O2H-T 1.000E+11 0.00 2.410E+04 REV / 5.085E+06 0.78 1.078E+04 / IC4H9O2+C2H4 = IC4H9O2H+C2H3 2.000E+11 0.00 6.000E+03 REV / 2.000E+10 0.00 8.000E+03 / IC4H9O2+CH4 = IC4H9O2H+CH3 1.130E+13 0.00 2.046E+04 REV / 7.500E+08 0.00 1.280E+03 / H2+IC4H9O2 = H+IC4H9O2H 3.010E+13 0.00 2.603E+04 REV / 4.800E+13 0.00 7.950E+03 / IC4H9O2+C2H6 = IC4H9O2H+C2H5 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / IC4H9O2+C3H8 = IC4H9O2H+IC3H7 2.000E+12 0.00 1.700E+04 REV / 5.000E+11 0.00 6.500E+03 / IC4H9O2+C3H8 = IC4H9O2H+NC3H7 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / IC4H9O2+CH3OH = IC4H9O2H+CH2OH 6.300E+12 0.00 1.936E+04 REV / 1.000E+09 0.00 1.000E+04 / IC4H9O2+C2H5OH = IC4H9O2H+PC2H4OH 6.300E+12 0.00 1.936E+04 REV / 3.061E+12 0.00 2.210E+04 / IC4H9O2+C2H5OH = IC4H9O2H+SC2H4OH 4.200E+12 0.00 1.500E+04 REV / 2.040E+12 0.00 1.774E+04 / SC4H9O2+CH2O = SC4H9O2H+HCO 5.600E+12 0.00 1.360E+04 REV / 8.000E+11 0.00 1.000E+04 / SC4H9O2+CH3CHO = SC4H9O2H+CH3CO 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / SC4H9O2+HO2 = SC4H9O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.131E+13 -0.83 3.448E+04 / C3H6+SC4H9O2 = C3H5-A+SC4H9O2H 3.240E+11 0.00 1.490E+04 REV / 2.000E+10 0.00 1.500E+04 / C2H4+SC4H9O2 = C2H3+SC4H9O2H 1.130E+13 0.00 3.043E+04 REV / 3.000E+12 0.00 1.150E+04 / CH3OH+SC4H9O2 = CH2OH+SC4H9O2H 6.300E+12 0.00 1.936E+04 REV / 1.000E+09 0.00 1.000E+04 / C2H3CHO+SC4H9O2 = C2H3CO+SC4H9O2H 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / CH4+SC4H9O2 = CH3+SC4H9O2H 1.120E+13 0.00 2.464E+04 REV / 7.430E+11 0.00 5.500E+03 / H2O2+SC4H9O2 = HO2+SC4H9O2H 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / SC4H9O2+SC4H9O2 = O2+SC4H9O+SC4H9O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / SC4H9O2+IC3H7O2 = SC4H9O+IC3H7O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / SC4H9O2+C2H5O2 = SC4H9O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / SC4H9O2+CH3O2 = SC4H9O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / SC4H9O2+CH3CO3 = SC4H9O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / SC4H9O2+HO2 = SC4H9O+OH+O2 1.400E-14 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / H2+SC4H9O2 = H+SC4H9O2H 3.010E+13 0.00 2.603E+04 REV / 4.800E+13 0.00 7.950E+03 / C2H6+SC4H9O2 = C2H5+SC4H9O2H 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / SC4H9O2+C2H5CHO = SC4H9O2H+C2H5CO 2.000E+11 0.00 9.500E+03 REV / 5.000E+09 0.00 1.000E+04 / SC4H9O2+CH3 = SC4H9O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 2.041E+12 0.17 2.617E+04 / SC4H9O2+C2H5 = SC4H9O+C2H5O 7.000E+12 0.00 -1.000E+03 REV / 4.513E+12 0.20 2.911E+04 / SC4H9O2+IC3H7 = SC4H9O+IC3H7O 7.000E+12 0.00 -1.000E+03 REV / 7.366E+10 0.75 2.962E+04 / SC4H9O2+NC3H7 = SC4H9O+NC3H7O 7.000E+12 0.00 -1.000E+03 REV / 1.185E+13 0.08 2.960E+04 / SC4H9O2+PC4H9 = SC4H9O+PC4H9O 7.000E+12 0.00 -1.000E+03 REV / 2.044E+13 0.04 2.934E+04 / SC4H9O2+SC4H9 = SC4H9O+SC4H9O 7.000E+12 0.00 -1.000E+03 REV / 4.790E+10 0.71 2.930E+04 / SC4H9O2+IC4H9 = SC4H9O+IC4H9O 7.000E+12 0.00 -1.000E+03 REV / 8.470E+13 -0.20 2.930E+04 / SC4H9O2+TC4H9 = SC4H9O+TC4H9O 7.000E+12 0.00 -1.000E+03 REV / 2.367E+17 -1.10 3.211E+04 / SC4H9O2+C3H5-A = SC4H9O+C3H5O 7.000E+12 0.00 -1.000E+03 REV / 1.370E+11 0.36 1.488E+04 / SC4H9O2+IC4H7 = SC4H9O+IC4H7O 7.000E+12 0.00 -1.000E+03 REV / 1.464E+11 0.35 1.467E+04 / SC4H9O2 = C4H8OOH2-1 3.000E+11 0.00 2.940E+04 REV / 7.442E+11 -0.51 1.394E+04 / SC4H9O2 = C4H8OOH2-3 2.000E+11 0.00 2.685E+04 REV / 3.994E+10 -0.20 1.393E+04 / SC4H9O2 = C4H8OOH2-4 3.750E+10 0.00 2.440E+04 REV / 9.302E+10 -0.51 8.944E+03 / PC4H9O2+CH2O = PC4H9O2H+HCO 5.600E+12 0.00 1.360E+04 REV / 8.000E+11 0.00 1.000E+04 / PC4H9O2+CH3CHO = PC4H9O2H+CH3CO 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / PC4H9O2+HO2 = PC4H9O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.789E+13 -0.85 3.449E+04 / C3H6+PC4H9O2 = C3H5-A+PC4H9O2H 3.240E+11 0.00 1.490E+04 REV / 2.000E+10 0.00 1.500E+04 / C2H4+PC4H9O2 = C2H3+PC4H9O2H 1.130E+13 0.00 3.043E+04 REV / 3.000E+12 0.00 1.150E+04 / CH3OH+PC4H9O2 = CH2OH+PC4H9O2H 6.300E+12 0.00 1.936E+04 REV / 1.000E+09 0.00 1.000E+04 / C2H3CHO+PC4H9O2 = C2H3CO+PC4H9O2H 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / CH4+PC4H9O2 = CH3+PC4H9O2H 1.120E+13 0.00 2.464E+04 REV / 7.430E+11 0.00 5.500E+03 / H2O2+PC4H9O2 = HO2+PC4H9O2H 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / PC4H9O2+PC4H9O2 = O2+PC4H9O+PC4H9O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / PC4H9O2+SC4H9O2 = PC4H9O+SC4H9O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / PC4H9O2+NC3H7O2 = PC4H9O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / PC4H9O2+IC3H7O2 = PC4H9O+IC3H7O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / PC4H9O2+C2H5O2 = PC4H9O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / PC4H9O2+CH3O2 = PC4H9O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / PC4H9O2+CH3CO3 = PC4H9O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / PC4H9O2+HO2 = PC4H9O+OH+O2 1.400E-14 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / H2+PC4H9O2 = H+PC4H9O2H 3.010E+13 0.00 2.603E+04 REV / 4.800E+13 0.00 7.950E+03 / C2H6+PC4H9O2 = C2H5+PC4H9O2H 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / PC4H9O2+C2H5CHO = PC4H9O2H+C2H5CO 2.000E+11 0.00 9.500E+03 REV / 5.000E+09 0.00 1.000E+04 / PC4H9O2+CH3 = PC4H9O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.744E+12 0.20 2.644E+04 / PC4H9O2+C2H5 = PC4H9O+C2H5O 7.000E+12 0.00 -1.000E+03 REV / 3.856E+12 0.22 2.938E+04 / PC4H9O2+IC3H7 = PC4H9O+IC3H7O 7.000E+12 0.00 -1.000E+03 REV / 6.294E+10 0.78 2.989E+04 / PC4H9O2+NC3H7 = PC4H9O+NC3H7O 7.000E+12 0.00 -1.000E+03 REV / 1.013E+13 0.11 2.987E+04 / PC4H9O2+PC4H9 = PC4H9O+PC4H9O 7.000E+12 0.00 -1.000E+03 REV / 1.746E+13 0.06 2.961E+04 / PC4H9O2+SC4H9 = PC4H9O+SC4H9O 7.000E+12 0.00 -1.000E+03 REV / 4.093E+10 0.73 2.957E+04 / PC4H9O2+IC4H9 = PC4H9O+IC4H9O 7.000E+12 0.00 -1.000E+03 REV / 7.237E+13 -0.17 2.957E+04 / PC4H9O2+TC4H9 = PC4H9O+TC4H9O 7.000E+12 0.00 -1.000E+03 REV / 2.023E+17 -1.08 3.238E+04 / PC4H9O2+C3H5-A = PC4H9O+C3H5O 7.000E+12 0.00 -1.000E+03 REV / 1.170E+11 0.38 1.515E+04 / PC4H9O2+IC4H7 = PC4H9O+IC4H7O 7.000E+12 0.00 -1.000E+03 REV / 1.251E+11 0.37 1.494E+04 / PC4H9O2 = C4H8OOH1-2 2.000E+11 0.00 2.685E+04 REV / 5.597E+08 0.34 1.197E+04 / PC4H9O2 = C4H8OOH1-3 2.500E+10 0.00 2.085E+04 REV / 3.231E+09 -0.14 7.871E+03 / PC4H9O2 = C4H8OOH1-4 4.688E+09 0.00 2.235E+04 REV / 1.269E+10 -0.52 6.900E+03 / IC4H10+CH3O2 = IC4H9+CH3O2H 2.550E+13 0.00 2.046E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+C2H5O2 = IC4H9+C2H5O2H 2.550E+13 0.00 2.046E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+CH3CO3 = IC4H9+CH3CO3H 2.550E+13 0.00 2.046E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+NC3H7O2 = IC4H9+NC3H7O2H 2.550E+13 0.00 2.046E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+IC3H7O2 = IC4H9+IC3H7O2H 2.550E+13 0.00 2.046E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+IC4H9O2 = IC4H9+IC4H9O2H 2.550E+13 0.00 2.046E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+TC4H9O2 = IC4H9+TC4H9O2H 2.550E+13 0.00 2.046E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+SC4H9O2 = IC4H9+SC4H9O2H 2.250E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / IC4H10+SC4H9O2 = TC4H9+SC4H9O2H 2.800E+12 0.00 1.600E+04 REV / 5.000E+11 0.00 6.500E+03 / IC4H10+PC4H9O2 = IC4H9+PC4H9O2H 2.250E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / IC4H10+PC4H9O2 = TC4H9+PC4H9O2H 2.800E+12 0.00 1.600E+04 REV / 5.000E+11 0.00 6.500E+03 / IC4H10+CH3O2 = TC4H9+CH3O2H 2.800E+12 0.00 1.600E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+C2H5O2 = TC4H9+C2H5O2H 2.800E+12 0.00 1.600E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+CH3CO3 = TC4H9+CH3CO3H 2.800E+12 0.00 1.600E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+NC3H7O2 = TC4H9+NC3H7O2H 2.800E+12 0.00 1.600E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+IC3H7O2 = TC4H9+IC3H7O2H 2.800E+12 0.00 1.600E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+IC4H9O2 = TC4H9+IC4H9O2H 2.800E+12 0.00 1.600E+04 REV / 1.000E+11 0.00 1.000E+04 / IC4H10+TC4H9O2 = TC4H9+TC4H9O2H 2.800E+12 0.00 1.600E+04 REV / 1.000E+11 0.00 1.000E+04 / CH3O2+C4H10 = CH3O2H+PC4H9 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / CH3O2+C4H10 = CH3O2H+SC4H9 1.120E+13 0.00 1.770E+04 REV / 5.000E+11 0.00 6.500E+03 / C2H5O2+C4H10 = C2H5O2H+PC4H9 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / C2H5O2+C4H10 = C2H5O2H+SC4H9 1.120E+13 0.00 1.770E+04 REV / 5.000E+11 0.00 6.500E+03 / NC3H7O2+C4H10 = NC3H7O2H+PC4H9 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / NC3H7O2+C4H10 = NC3H7O2H+SC4H9 1.120E+13 0.00 1.770E+04 REV / 5.000E+11 0.00 6.500E+03 / IC3H7O2+C4H10 = IC3H7O2H+PC4H9 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / IC3H7O2+C4H10 = IC3H7O2H+SC4H9 1.120E+13 0.00 1.770E+04 REV / 5.000E+11 0.00 6.500E+03 / PC4H9O2+C4H10 = PC4H9O2H+PC4H9 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / PC4H9O2+C4H10 = PC4H9O2H+SC4H9 1.120E+13 0.00 1.770E+04 REV / 5.000E+11 0.00 6.500E+03 / SC4H9O2+C4H10 = SC4H9O2H+PC4H9 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / SC4H9O2+C4H10 = SC4H9O2H+SC4H9 1.120E+13 0.00 1.770E+04 REV / 5.000E+11 0.00 6.500E+03 / C4H10+CH3CO3 = PC4H9+CH3CO3H 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / C4H10+CH3CO3 = SC4H9+CH3CO3H 1.120E+13 0.00 1.770E+04 REV / 5.000E+11 0.00 6.500E+03 / C4H10+C2H5O = PC4H9+C2H5OH 3.000E+11 0.00 7.000E+03 REV / 1.000E+10 0.00 9.000E+03 / C4H10+C2H5O = SC4H9+C2H5OH 6.000E+11 0.00 7.000E+03 REV / 1.000E+10 0.00 9.000E+03 / IC4H9O2+C4H10 = IC4H9O2H+SC4H9 1.120E+13 0.00 1.770E+04 REV / 5.000E+11 0.00 6.500E+03 / TC4H9O2+C4H10 = TC4H9O2H+SC4H9 1.120E+13 0.00 1.770E+04 REV / 5.000E+11 0.00 6.500E+03 / IC4H9O2+C4H10 = IC4H9O2H+PC4H9 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / TC4H9O2+C4H10 = TC4H9O2H+PC4H9 1.700E+13 0.00 2.046E+04 REV / 5.000E+11 0.00 6.500E+03 / CH3COCH2O2 = CH3COCH2+O2 8.093E+15 -1.11 2.745E+04 REV / 1.200E+11 0.00 -1.100E+03 / CH3COCH3+CH3COCH2O2 = CH3COCH2+CH3COCH2O2H 1.000E+11 0.00 5.000E+03 REV / 1.995E+10 0.00 1.000E+04 / CH2O+CH3COCH2O2 = HCO+CH3COCH2O2H 1.288E+11 0.00 9.000E+03 REV / 2.512E+10 0.00 1.010E+04 / HO2+CH3COCH2O2 = CH3COCH2O2H+O2 1.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / CH3COCH2O2H = CH3COCH2O+OH 1.000E+16 0.00 4.300E+04 REV / 2.038E+09 1.55 -4.375E+03 / CH3COCH2O = CH3CO+CH2O 8.711E+16 -1.18 1.376E+04 REV / 1.000E+11 0.00 1.190E+04 / C2H5CHO+CH3O2 = C2H5CO+CH3O2H 3.010E+12 0.00 1.193E+04 REV / 2.358E+13 -0.51 8.983E+03 / C2H5CHO+C2H5O = C2H5CO+C2H5OH 6.026E+11 0.00 3.300E+03 REV / 3.020E+11 0.00 1.816E+04 / C2H5CHO+C2H5O2 = C2H5CO+C2H5O2H 3.010E+12 0.00 1.193E+04 REV / 2.335E+13 -0.51 8.579E+03 / C2H5CHO+CH3CO3 = C2H5CO+CH3CO3H 3.010E+12 0.00 1.193E+04 REV / 1.872E+12 -0.01 1.314E+04 / C2H5CHO+PC4H9 = C2H5CO+C4H10 1.700E+12 0.00 8.440E+03 REV / 9.695E+13 0.00 1.882E+04 / C2H5CHO+SC4H9 = C2H5CO+C4H10 1.700E+12 0.00 8.440E+03 REV / 9.695E+13 0.00 1.882E+04 / C2H5CHO+C4H7 = C2H5CO+C4H8-1 1.700E+12 0.00 8.440E+03 REV / 1.000E+13 0.00 2.800E+04 / C2H5CHO+C4H7 = C2H5CO+C4H8-2 1.700E+12 0.00 8.440E+03 REV / 1.000E+13 0.00 2.800E+04 / C2H5O2 = C2H4+HO2 3.370E+55 -13.42 4.467E+04 REV / 1.392E+49 -12.10 2.162E+04 / C2H4O2H = C2H5+O2 2.150E+37 -8.21 2.802E+04 REV / 2.420E+35 -8.03 8.312E+03 / AC5H11O2+IC5H12 = AC5H11O2H+AC5H11 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / BC5H11O2+IC5H12 = BC5H11O2H+AC5H11 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / CC5H11O2+IC5H12 = CC5H11O2H+AC5H11 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / DC5H11O2+IC5H12 = DC5H11O2H+AC5H11 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / AC5H11O2+IC5H12 = AC5H11O2H+BC5H11 2.016E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / BC5H11O2+IC5H12 = BC5H11O2H+BC5H11 2.016E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / CC5H11O2+IC5H12 = CC5H11O2H+BC5H11 2.016E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / DC5H11O2+IC5H12 = DC5H11O2H+BC5H11 2.016E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / AC5H11O2+IC5H12 = AC5H11O2H+CC5H11 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / BC5H11O2+IC5H12 = BC5H11O2H+CC5H11 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / CC5H11O2+IC5H12 = CC5H11O2H+CC5H11 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / DC5H11O2+IC5H12 = DC5H11O2H+CC5H11 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / AC5H11O2+IC5H12 = AC5H11O2H+DC5H11 6.048E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / BC5H11O2+IC5H12 = BC5H11O2H+DC5H11 6.048E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / CC5H11O2+IC5H12 = CC5H11O2H+DC5H11 6.048E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / DC5H11O2+IC5H12 = DC5H11O2H+DC5H11 6.048E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / IC5H12+CH3O2 = AC5H11+CH3O2H 1.680E+13 0.00 2.044E+04 REV / 4.168E+13 -0.51 5.395E+03 / IC5H12+CH3O2 = BC5H11+CH3O2H 2.800E+12 0.00 1.601E+04 REV / 1.591E+11 0.03 5.287E+03 / IC5H12+CH3O2 = CC5H11+CH3O2H 5.600E+12 0.00 1.769E+04 REV / 9.338E+11 -0.17 5.157E+03 / IC5H12+CH3O2 = DC5H11+CH3O2H 8.400E+12 0.00 2.044E+04 REV / 2.084E+13 -0.51 5.395E+03 / AC5H11O2 = AC5H11+O2 7.047E+19 -1.62 3.641E+04 REV / 2.260E+12 0.00 0.000E+00 / AC5H11+AC5H11O2 = AC5H11O+AC5H11O 7.000E+12 0.00 -1.000E+03 REV / 3.640E+13 -0.17 3.053E+04 / AC5H11+BC5H11O2 = AC5H11O+BC5H11O 7.000E+12 0.00 -1.000E+03 REV / 2.177E+13 -0.16 3.131E+04 / AC5H11+CC5H11O2 = AC5H11O+CC5H11O 7.000E+12 0.00 -1.000E+03 REV / 3.997E+13 -0.18 3.025E+04 / AC5H11+DC5H11O2 = AC5H11O+DC5H11O 7.000E+12 0.00 -1.000E+03 REV / 3.639E+13 -0.17 3.053E+04 / BC5H11O2 = BC5H11+O2 2.323E+24 -2.50 3.819E+04 REV / 1.410E+13 0.00 0.000E+00 / BC5H11+AC5H11O2 = BC5H11O+AC5H11O 7.000E+12 0.00 -1.000E+03 REV / 1.150E+17 -1.04 3.309E+04 / BC5H11+BC5H11O2 = BC5H11O+BC5H11O 7.000E+12 0.00 -1.000E+03 REV / 6.882E+16 -1.03 3.387E+04 / BC5H11+CC5H11O2 = BC5H11O+CC5H11O 7.000E+12 0.00 -1.000E+03 REV / 1.263E+17 -1.05 3.281E+04 / BC5H11+DC5H11O2 = BC5H11O+DC5H11O 7.000E+12 0.00 -1.000E+03 REV / 1.150E+17 -1.04 3.309E+04 / CC5H11O2 = CC5H11+O2 5.979E+22 -2.25 3.869E+04 REV / 7.540E+12 0.00 0.000E+00 / CC5H11+AC5H11O2 = CC5H11O+AC5H11O 7.000E+12 0.00 -1.000E+03 REV / 1.016E+16 -0.81 3.253E+04 / CC5H11+BC5H11O2 = CC5H11O+BC5H11O 7.000E+12 0.00 -1.000E+03 REV / 6.080E+15 -0.80 3.331E+04 / CC5H11+CC5H11O2 = CC5H11O+CC5H11O 7.000E+12 0.00 -1.000E+03 REV / 1.116E+16 -0.82 3.225E+04 / CC5H11+DC5H11O2 = CC5H11O+DC5H11O 7.000E+12 0.00 -1.000E+03 REV / 1.016E+16 -0.81 3.253E+04 / DC5H11O2 = DC5H11+O2 2.809E+20 -1.62 3.641E+04 REV / 4.520E+12 0.00 0.000E+00 / DC5H11+AC5H11O2 = DC5H11O+AC5H11O 7.000E+12 0.00 -1.000E+03 REV / 7.252E+13 -0.17 3.053E+04 / DC5H11+BC5H11O2 = DC5H11O+BC5H11O 7.000E+12 0.00 -1.000E+03 REV / 4.338E+13 -0.16 3.131E+04 / DC5H11+CC5H11O2 = DC5H11O+CC5H11O 7.000E+12 0.00 -1.000E+03 REV / 7.963E+13 -0.18 3.025E+04 / DC5H11+DC5H11O2 = DC5H11O+DC5H11O 7.000E+12 0.00 -1.000E+03 REV / 7.250E+13 -0.17 3.053E+04 / AC5H11O2 = AC5H10OOH-A 3.750E+10 0.00 2.440E+04 REV / 9.090E+10 -0.51 8.950E+03 / AC5H11O2 = AC5H10OOH-B 1.000E+11 0.00 2.410E+04 REV / 2.509E+06 0.78 1.078E+04 / AC5H11O2 = AC5H10OOH-C 2.500E+10 0.00 2.085E+04 REV / 2.888E+09 -0.12 7.860E+03 / AC5H11O2 = AC5H10OOH-D 4.688E+09 0.00 2.235E+04 REV / 1.136E+10 -0.51 6.900E+03 / AC5H11O2+HO2 = AC5H11O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.109E+13 -0.83 3.448E+04 / AC5H11O2+H2O2 = AC5H11O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / AC5H11O2+AC5H11O2 = O2+AC5H11O+AC5H11O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC5H11O2+BC5H11O2 = O2+AC5H11O+BC5H11O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC5H11O2+CC5H11O2 = O2+AC5H11O+CC5H11O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC5H11O2+DC5H11O2 = O2+AC5H11O+DC5H11O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC5H11O2+CH3O2 = AC5H11O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC5H11O2 = BC5H10OOH-A 6.000E+11 0.00 2.940E+04 REV / 1.335E+12 -0.50 1.393E+04 / BC5H11O2 = BC5H10OOH-C 2.000E+11 0.00 2.685E+04 REV / 2.991E+10 -0.16 1.389E+04 / BC5H11O2 = BC5H10OOH-D 3.750E+10 0.00 2.440E+04 REV / 8.345E+10 -0.50 8.930E+03 / BC5H11O2+HO2 = BC5H11O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.019E+13 -0.83 3.447E+04 / BC5H11O2+H2O2 = BC5H11O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / BC5H11O2+BC5H11O2 = O2+BC5H11O+BC5H11O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC5H11O2+CC5H11O2 = O2+BC5H11O+CC5H11O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC5H11O2+DC5H11O2 = O2+BC5H11O+DC5H11O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC5H11O2+CH3O2 = BC5H11O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / CC5H11O2 = CC5H10OOH-A 7.500E+10 0.00 2.440E+04 REV / 6.970E+12 -0.50 1.114E+04 / CC5H11O2 = CC5H10OOH-B 1.000E+11 0.00 2.410E+04 REV / 8.691E+11 -0.13 1.728E+04 / CC5H11O2 = CC5H10OOH-D 3.000E+11 0.00 2.940E+04 REV / 7.834E+11 -0.52 1.395E+04 / CC5H11O2+HO2 = CC5H11O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.803E+13 -0.85 3.449E+04 / CC5H11O2+H2O2 = CC5H11O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 5.626E+12 -0.19 6.588E+03 / CC5H11O2+CC5H11O2 = O2+CC5H11O+CC5H11O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / CC5H11O2+DC5H11O2 = O2+CC5H11O+DC5H11O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / CC5H11O2+CH3O2 = CC5H11O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / DC5H11O2 = DC5H10OOH-A 9.376E+09 0.00 2.235E+04 REV / 3.417E+10 -0.51 6.900E+03 / DC5H11O2 = DC5H10OOH-B 1.250E+10 0.00 1.910E+04 REV / 7.046E+08 0.02 7.970E+03 / DC5H11O2 = DC5H10OOH-C 2.000E+11 0.00 2.685E+04 REV / 2.309E+10 -0.12 1.386E+04 / DC5H11O2+HO2 = DC5H11O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.108E+13 -0.83 3.448E+04 / DC5H11O2+H2O2 = DC5H11O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / DC5H11O2+DC5H11O2 = O2+DC5H11O+DC5H11O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / DC5H11O2+CH3O2 = DC5H11O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC5H11O2H = AC5H11O+OH 1.500E+16 0.00 4.250E+04 REV / 1.566E+08 1.73 -3.035E+03 / BC5H11O2H = BC5H11O+OH 5.950E+15 0.00 4.254E+04 REV / 3.783E+07 1.74 -2.205E+03 / CC5H11O2H = CC5H11O+OH 9.450E+15 0.00 4.160E+04 REV / 9.537E+07 1.74 -4.225E+03 / DC5H11O2H = DC5H11O+OH 1.500E+16 0.00 4.250E+04 REV / 1.566E+08 1.73 -3.035E+03 / AC5H11O = CH2O+SC4H9 3.976E+13 -0.16 1.780E+04 REV / 6.250E+10 0.00 1.190E+04 / BC5H11O = C2H5+CH3COCH3 9.831E+17 -1.16 1.616E+04 REV / 8.500E+10 0.00 1.190E+04 / CC5H11O = CH3CHO+IC3H7 5.480E+18 -1.43 1.878E+04 REV / 7.500E+10 0.00 1.190E+04 / DC5H11O = CH2O+IC4H9 1.717E+17 -1.27 2.018E+04 REV / 6.250E+10 0.00 1.190E+04 / AC5H10OOH-B = A-BC5H10O+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / AC5H10OOH-A = A-AC5H10O+OH 5.000E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / AC5H10OOH-C = A-CC5H10O+OH 5.000E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / AC5H10OOH-D = A-DC5H10O+OH 6.250E+09 0.00 6.000E+03 REV / 0.000E+00 0.00 0.000E+00 / BC5H10OOH-A = A-BC5H10O+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / BC5H10OOH-C = B-CC5H10O+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / BC5H10OOH-D = B-DC5H10O+OH 5.000E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / CC5H10OOH-B = B-CC5H10O+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / CC5H10OOH-D = C-DC5H10O+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / CC5H10OOH-A = A-CC5H10O+OH 5.000E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / DC5H10OOH-C = C-DC5H10O+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / DC5H10OOH-B = B-DC5H10O+OH 5.000E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / DC5H10OOH-A = A-DC5H10O+OH 6.250E+09 0.00 6.000E+03 REV / 0.000E+00 0.00 0.000E+00 / AC5H10OOH-B = AC5H10+HO2 1.039E+15 -1.09 1.410E+04 REV / 1.000E+11 0.00 7.800E+03 / BC5H10OOH-A = AC5H10+HO2 1.116E+22 -2.71 1.805E+04 REV / 1.000E+11 0.00 7.800E+03 / BC5H10OOH-C = BC5H10+HO2 2.140E+21 -2.61 1.760E+04 REV / 1.000E+11 0.00 7.800E+03 / CC5H10OOH-B = BC5H10+HO2 1.127E+20 -2.38 1.809E+04 REV / 1.000E+11 0.00 7.800E+03 / CC5H10OOH-D = CC5H10+HO2 8.935E+20 -2.65 1.818E+04 REV / 1.000E+11 0.00 7.800E+03 / DC5H10OOH-C = CC5H10+HO2 4.607E+18 -1.97 1.585E+04 REV / 1.000E+11 0.00 7.800E+03 / AC5H10OOH-C = OH+CH2O+C4H8-2 2.719E+14 -0.48 2.903E+04 REV / 0.000E+00 0.00 0.000E+00 / AC5H10OOH-A = OH+CH2O+C4H8-1 4.065E+15 -0.65 2.939E+04 REV / 0.000E+00 0.00 0.000E+00 / BC5H10OOH-D = OH+CH3COCH3+C2H4 1.182E+20 -2.06 2.421E+04 REV / 0.000E+00 0.00 0.000E+00 / CC5H10OOH-A = OH+CH3CHO+C3H6 8.216E+19 -1.88 2.647E+04 REV / 0.000E+00 0.00 0.000E+00 / DC5H10OOH-B = OH+CH2O+IC4H8 7.478E+11 -0.67 3.078E+04 REV / 0.000E+00 0.00 0.000E+00 / AC5H10OOH-AO2 = AC5H10OOH-A+O2 3.125E+20 -1.64 3.570E+04 REV / 2.260E+12 0.00 0.000E+00 / AC5H10OOH-BO2 = AC5H10OOH-B+O2 4.734E+27 -3.24 3.964E+04 REV / 1.410E+13 0.00 0.000E+00 / AC5H10OOH-CO2 = AC5H10OOH-C+O2 1.374E+23 -2.26 3.799E+04 REV / 7.540E+12 0.00 0.000E+00 / AC5H10OOH-DO2 = AC5H10OOH-D+O2 3.136E+20 -1.64 3.570E+04 REV / 4.520E+12 0.00 0.000E+00 / BC5H10OOH-AO2 = BC5H10OOH-A+O2 7.068E+19 -1.62 3.569E+04 REV / 2.260E+12 0.00 0.000E+00 / BC5H10OOH-CO2 = BC5H10OOH-C+O2 4.417E+22 -2.20 3.793E+04 REV / 7.540E+12 0.00 0.000E+00 / BC5H10OOH-DO2 = BC5H10OOH-D+O2 2.816E+20 -1.62 3.569E+04 REV / 4.520E+12 0.00 0.000E+00 / CC5H10OOH-AO2 = CC5H10OOH-A+O2 1.066E+20 -1.58 3.566E+04 REV / 2.260E+12 0.00 0.000E+00 / CC5H10OOH-BO2 = CC5H10OOH-B+O2 1.568E+24 -2.43 3.744E+04 REV / 1.410E+13 0.00 0.000E+00 / CC5H10OOH-DO2 = CC5H10OOH-D+O2 2.132E+20 -1.58 3.566E+04 REV / 4.520E+12 0.00 0.000E+00 / DC5H10OOH-AO2 = DC5H10OOH-A+O2 5.233E+19 -1.64 3.570E+04 REV / 2.260E+12 0.00 0.000E+00 / DC5H10OOH-BO2 = DC5H10OOH-B+O2 2.107E+24 -2.48 3.745E+04 REV / 1.410E+13 0.00 0.000E+00 / DC5H10OOH-CO2 = DC5H10OOH-C+O2 6.900E+22 -2.26 3.799E+04 REV / 7.540E+12 0.00 0.000E+00 / AC5H10OOH-AO2 = IC5KETAA+OH 2.500E+10 0.00 2.140E+04 REV / 5.212E+03 1.26 4.440E+04 / AC5H10OOH-BO2 = IC5KETAB+OH 2.000E+11 0.00 2.640E+04 REV / 4.427E+05 1.06 4.870E+04 / AC5H10OOH-CO2 = IC5KETAC+OH 2.500E+10 0.00 2.140E+04 REV / 7.050E+03 1.21 4.442E+04 / AC5H10OOH-DO2 = IC5KETAD+OH 3.125E+09 0.00 1.935E+04 REV / 1.299E+03 1.26 4.235E+04 / CC5H10OOH-AO2 = IC5KETCA+OH 1.250E+10 0.00 1.785E+04 REV / 3.266E+02 1.63 4.355E+04 / CC5H10OOH-BO2 = IC5KETCB+OH 1.000E+11 0.00 2.385E+04 REV / 3.604E+04 1.40 4.890E+04 / CC5H10OOH-DO2 = IC5KETCD+OH 1.000E+11 0.00 2.385E+04 REV / 2.421E+03 1.62 4.969E+04 / DC5H10OOH-AO2 = IC5KETDA+OH 3.125E+09 0.00 1.935E+04 REV / 7.684E+02 1.32 4.265E+04 / DC5H10OOH-BO2 = IC5KETDB+OH 2.500E+10 0.00 2.140E+04 REV / 6.524E+03 1.31 4.470E+04 / DC5H10OOH-CO2 = IC5KETDC+OH 2.000E+11 0.00 2.640E+04 REV / 1.304E+05 1.16 4.887E+04 / A-AC5H10O+OH = CH2O+C4H7+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-BC5H10O+OH = IC3H5CHO+CH3+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-CC5H10O+OH = C3H6+CH3CO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-DC5H10O+OH = C3H6+CH2CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / B-CC5H10O+OH = IC3H5COCH3+H+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / B-DC5H10O+OH = IC4H8+HCO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C-DC5H10O+OH = CH2CO+IC3H7+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-AC5H10O+OH = C2H3CHO+C2H5+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-BC5H10O+OH = CH2O+C4H7+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-CC5H10O+OH = C3H5-T+CH3CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-DC5H10O+OH = CH3CHCHO+C2H4+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / B-CC5H10O+OH = IC3H5CHO+CH3+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / B-DC5H10O+OH = CH3COCH3+C2H3+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C-DC5H10O+OH = SC3H5CHO+CH3+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-AC5H10O+HO2 = CH2O+C4H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-BC5H10O+HO2 = IC3H5CHO+CH3+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-CC5H10O+HO2 = C3H6+CH3CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-DC5H10O+HO2 = C3H6+CH2CHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / B-CC5H10O+HO2 = IC3H5COCH3+H+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / B-DC5H10O+HO2 = IC4H8+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C-DC5H10O+HO2 = CH2CO+IC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-AC5H10O+HO2 = C2H3CHO+C2H5+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-BC5H10O+HO2 = CH2O+C4H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-CC5H10O+HO2 = C3H5-T+CH3CHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-DC5H10O+HO2 = CH3CHCHO+C2H4+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / B-CC5H10O+HO2 = IC3H5CHO+CH3+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / B-DC5H10O+HO2 = CH3COCH3+C2H3+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C-DC5H10O+HO2 = SC3H5CHO+CH3+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C3H4-A+HO2 = C2H4+CO+OH 1.000E+12 0.00 1.400E+04 REV / 1.000E+00 0.00 0.000E+00 / C3H4-A+HO2 = C3H3+H2O2 3.000E+13 0.00 1.400E+04 REV / 1.551E+16 -1.38 4.400E+04 / CH3CHO+OH = CH3+HOCHO 3.000E+15 -1.08 0.000E+00 REV / 5.350E+19 -1.68 1.198E+05 / C3H5-T+O2 = C3H4-A+HO2 1.890E+30 -5.59 1.554E+04 REV / 1.569E+31 -5.82 2.661E+04 / C5H11O2-1+NC5H12 = C5H11O2H-1+C5H11-1 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C5H11O2-2+NC5H12 = C5H11O2H-2+C5H11-1 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C5H11O2-3+NC5H12 = C5H11O2H-3+C5H11-1 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C5H11O2-1+NC5H12 = C5H11O2H-1+C5H11-2 8.064E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C5H11O2-2+NC5H12 = C5H11O2H-2+C5H11-2 8.064E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C5H11O2-3+NC5H12 = C5H11O2H-3+C5H11-2 8.064E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C5H11O2-1+NC5H12 = C5H11O2H-1+C5H11-3 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C5H11O2-2+NC5H12 = C5H11O2H-2+C5H11-3 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C5H11O2-3+NC5H12 = C5H11O2H-3+C5H11-3 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / NC5H12+CH3O2 = C5H11-1+CH3O2H 1.680E+13 0.00 2.044E+04 REV / 4.990E+10 0.30 4.625E+03 / NC5H12+CH3O2 = C5H11-2+CH3O2H 1.120E+13 0.00 1.769E+04 REV / 1.571E+14 -0.68 6.473E+03 / NC5H12+CH3O2 = C5H11-3+CH3O2H 5.600E+12 0.00 1.769E+04 REV / 1.575E+14 -0.68 6.475E+03 / C5H11O2-1 = C5H11-1+O2 1.956E+20 -1.50 3.581E+04 REV / 4.520E+12 0.00 0.000E+00 / C5H11-1+C5H11O2-1 = C5H11O-1+C5H11O-1 7.000E+12 0.00 -1.000E+03 REV / 3.866E+13 -0.01 2.989E+04 / C5H11-1+C5H11O2-2 = C5H11O-1+C5H11O-2 7.000E+12 0.00 -1.000E+03 REV / 3.440E+13 0.00 2.958E+04 / C5H11-1+C5H11O2-3 = C5H11O-1+C5H11O-3 7.000E+12 0.00 -1.000E+03 REV / 6.857E+13 0.00 2.958E+04 / C5H11O2-2 = C5H11-2+O2 5.194E+17 -0.78 3.597E+04 REV / 7.540E+12 0.00 0.000E+00 / C5H11-2+C5H11O2-1 = C5H11O-2+C5H11O-1 7.000E+12 0.00 -1.000E+03 REV / 5.474E+10 0.72 2.974E+04 / C5H11-2+C5H11O2-2 = C5H11O-2+C5H11O-2 7.000E+12 0.00 -1.000E+03 REV / 4.870E+10 0.73 2.943E+04 / C5H11-2+C5H11O2-3 = C5H11O-2+C5H11O-3 7.000E+12 0.00 -1.000E+03 REV / 9.707E+10 0.73 2.943E+04 / C5H11O2-3 = C5H11-3+O2 2.590E+17 -0.78 3.597E+04 REV / 7.540E+12 0.00 0.000E+00 / C5H11-3+C5H11O2-1 = C5H11O-3+C5H11O-1 7.000E+12 0.00 -1.000E+03 REV / 5.441E+10 0.72 2.974E+04 / C5H11-3+C5H11O2-2 = C5H11O-3+C5H11O-2 7.000E+12 0.00 -1.000E+03 REV / 4.840E+10 0.74 2.943E+04 / C5H11-3+C5H11O2-3 = C5H11O-3+C5H11O-3 7.000E+12 0.00 -1.000E+03 REV / 9.649E+10 0.74 2.943E+04 / C5H11O2-1 = C5H10OOH1-2 2.000E+11 0.00 2.685E+04 REV / 2.083E+10 -0.11 1.385E+04 / C5H11O2-1 = C5H10OOH1-3 2.500E+10 0.00 2.085E+04 REV / 2.604E+09 -0.11 7.850E+03 / C5H11O2-1 = C5H10OOH1-4 3.125E+09 0.00 1.905E+04 REV / 3.255E+08 -0.11 6.050E+03 / C5H11O2-1 = C5H10OOH1-5 5.860E+08 0.00 2.555E+04 REV / 1.379E+09 -0.50 1.009E+04 / C5H11O2-1+C5H11O2-2 = O2+C5H11O-1+C5H11O-2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C5H11O2-1+C5H11O2-3 = O2+C5H11O-1+C5H11O-3 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C5H11O2-1+CH3O2 = O2+C5H11O-1+CH3O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C5H11O2-1+C5H11O2-1 = O2+C5H11O-1+C5H11O-1 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / H2O2+C5H11O2-1 = HO2+C5H11O2H-1 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / C5H11O2-1+HO2 = C5H11O2H-1+O2 1.750E+10 0.00 -3.275E+03 REV / 4.978E+13 -0.83 3.448E+04 / C5H11O2-2 = C5H10OOH2-1 3.000E+11 0.00 2.940E+04 REV / 7.790E+11 -0.52 1.396E+04 / C5H11O2-2 = C5H10OOH2-3 2.000E+11 0.00 2.685E+04 REV / 2.698E+10 -0.14 1.390E+04 / C5H11O2-2 = C5H10OOH2-4 2.500E+10 0.00 2.085E+04 REV / 3.372E+09 -0.14 7.900E+03 / C5H11O2-2 = C5H10OOH2-5 4.688E+09 0.00 2.235E+04 REV / 1.217E+10 -0.52 6.910E+03 / C5H11O2-2+CH3O2 = O2+C5H11O-2+CH3O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C5H11O2-2+C5H11O2-3 = C5H11O-2+C5H11O-3+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C5H11O2-2+C5H11O2-2 = O2+C5H11O-2+C5H11O-2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / H2O2+C5H11O2-2 = HO2+C5H11O2H-2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / C5H11O2-2+HO2 = C5H11O2H-2+O2 1.750E+10 0.00 -3.275E+03 REV / 5.820E+13 -0.85 3.450E+04 / C5H11O2-3 = C5H10OOH3-1 7.500E+10 0.00 2.440E+04 REV / 1.948E+11 -0.52 8.960E+03 / C5H11O2-3 = C5H10OOH3-2 4.000E+11 0.00 2.685E+04 REV / 5.396E+10 -0.14 1.390E+04 / C5H11O2-3+CH3O2 = O2+C5H11O-3+CH3O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C5H11O2-3+C5H11O2-3 = O2+C5H11O-3+C5H11O-3 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / H2O2+C5H11O2-3 = HO2+C5H11O2H-3 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / C5H11O2-3+HO2 = C5H11O2H-3+O2 1.750E+10 0.00 -3.275E+03 REV / 5.820E+13 -0.85 3.450E+04 / C5H11O2H-1 = C5H11O-1+OH 1.500E+16 0.00 4.250E+04 REV / 1.406E+08 1.75 -3.055E+03 / C5H11O2H-2 = C5H11O-2+OH 9.450E+15 0.00 4.160E+04 REV / 6.741E+07 1.78 -4.285E+03 / C5H11O2H-3 = C5H11O-3+OH 9.450E+15 0.00 4.160E+04 REV / 1.344E+08 1.78 -4.285E+03 / C5H11O-1 = CH2O+PC4H9 4.236E+16 -1.04 2.001E+04 REV / 6.250E+10 0.00 1.190E+04 / C5H11O-2 = CH3CHO+NC3H7 1.661E+21 -2.26 2.088E+04 REV / 7.500E+10 0.00 1.190E+04 / C5H11O-3 = C2H5+C2H5CHO 2.282E+21 -2.18 2.015E+04 REV / 8.500E+10 0.00 1.190E+04 / C5H10OOH1-2 = C5H10O1-2+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH1-3 = C5H10O1-3+OH 5.000E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH1-4 = C5H10O1-4+OH 6.250E+09 0.00 6.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH1-5 = C5H10O1-5+OH 7.810E+08 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH2-1 = C5H10O1-2+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH2-3 = C5H10O2-3+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH2-4 = C5H10O2-4+OH 5.000E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH2-5 = C5H10O1-4+OH 6.250E+09 0.00 6.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH3-2 = C5H10O2-3+OH 4.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH3-1 = C5H10O1-3+OH 5.000E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH1-2 = C5H10-1+HO2 5.729E+17 -1.59 1.590E+04 REV / 1.250E+11 0.00 8.070E+03 / C5H10OOH2-1 = C5H10-1+HO2 1.073E+20 -2.27 1.822E+04 REV / 1.250E+11 0.00 8.070E+03 / C5H10OOH2-3 = C5H10-2+HO2 1.603E+20 -2.49 1.786E+04 REV / 1.250E+11 0.00 8.070E+03 / C5H10OOH3-2 = C5H10-2+HO2 1.603E+20 -2.49 1.786E+04 REV / 1.250E+11 0.00 8.070E+03 / C5H10OOH1-3 = OH+CH2O+C4H8-1 8.283E+13 -0.17 3.009E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH2-4 = OH+CH3CHO+C3H6 8.312E+17 -1.40 2.717E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH3-1 = OH+C2H5CHO+C2H4 3.096E+18 -1.73 2.682E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10OOH1-2O2 = C5H10OOH1-2+O2 8.039E+22 -2.30 3.797E+04 REV / 7.540E+12 0.00 0.000E+00 / C5H10OOH1-3O2 = C5H10OOH1-3+O2 8.039E+22 -2.30 3.797E+04 REV / 7.540E+12 0.00 0.000E+00 / C5H10OOH1-4O2 = C5H10OOH1-4+O2 8.039E+22 -2.30 3.797E+04 REV / 7.540E+12 0.00 0.000E+00 / C5H10OOH1-5O2 = C5H10OOH1-5+O2 2.777E+20 -1.62 3.569E+04 REV / 4.520E+12 0.00 0.000E+00 / C5H10OOH2-1O2 = C5H10OOH2-1+O2 2.572E+20 -1.62 3.565E+04 REV / 4.520E+12 0.00 0.000E+00 / C5H10OOH2-3O2 = C5H10OOH2-3+O2 7.251E+22 -2.29 3.791E+04 REV / 7.540E+12 0.00 0.000E+00 / C5H10OOH2-4O2 = C5H10OOH2-4+O2 7.251E+22 -2.29 3.791E+04 REV / 7.540E+12 0.00 0.000E+00 / C5H10OOH2-5O2 = C5H10OOH2-5+O2 2.572E+20 -1.62 3.565E+04 REV / 4.520E+12 0.00 0.000E+00 / C5H10OOH3-1O2 = C5H10OOH3-1+O2 2.572E+20 -1.62 3.565E+04 REV / 4.520E+12 0.00 0.000E+00 / C5H10OOH3-2O2 = C5H10OOH3-2+O2 7.251E+22 -2.29 3.791E+04 REV / 7.540E+12 0.00 0.000E+00 / C5H10OOH1-2O2 = NC5KET12+OH 2.000E+11 0.00 2.640E+04 REV / 1.335E+05 1.17 4.891E+04 / C5H10OOH1-3O2 = NC5KET13+OH 2.500E+10 0.00 2.140E+04 REV / 5.328E+03 1.35 4.470E+04 / C5H10OOH1-4O2 = NC5KET14+OH 3.125E+09 0.00 1.935E+04 REV / 6.660E+02 1.35 4.265E+04 / C5H10OOH1-5O2 = NC5KET15+OH 3.906E+08 0.00 2.255E+04 REV / 9.661E+01 1.32 4.585E+04 / C5H10OOH2-1O2 = NC5KET21+OH 1.000E+11 0.00 2.385E+04 REV / 1.338E+03 1.70 5.001E+04 / C5H10OOH2-3O2 = NC5KET23+OH 1.000E+11 0.00 2.385E+04 REV / 6.469E+03 1.59 4.909E+04 / C5H10OOH2-4O2 = NC5KET24+OH 1.250E+10 0.00 1.785E+04 REV / 2.702E+02 1.76 4.388E+04 / C5H10OOH2-5O2 = NC5KET25+OH 1.563E+09 0.00 1.605E+04 REV / 4.668E+01 1.71 4.208E+04 / C5H10OOH3-1O2 = NC5KET31+OH 1.250E+10 0.00 1.785E+04 REV / 3.146E+02 1.70 4.418E+04 / C5H10OOH3-2O2 = NC5KET32+OH 1.000E+11 0.00 2.385E+04 REV / 4.749E+03 1.59 4.936E+04 / C5H10O1-2+OH = CH2CO+NC3H7+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-3+OH = C2H4+C2H5CO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-4+OH = CH3COCH2+C2H4+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-5+OH = CH2CH2CHO+C2H4+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10O2-3+OH = CH3CHCO+C2H5+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10O2-4+OH = CH3CO+C3H6+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-2+OH = C2H3CHO+C2H5+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-3+OH = HCO+C4H8-1+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-4+OH = CH2CHO+C3H6+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-5+OH = CH2O+C4H7+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10O2-3+OH = C2H3COCH3+CH3+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10O2-4+OH = CH3CHO+C3H5-S+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-2+HO2 = CH2CO+NC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-3+HO2 = C2H4+C2H5CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-4+HO2 = CH3COCH2+C2H4+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-5+HO2 = CH2CH2CHO+C2H4+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10O2-3+HO2 = CH3CHCO+C2H5+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10O2-4+HO2 = CH3CO+C3H6+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-2+HO2 = C2H3CHO+C2H5+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-3+HO2 = HCO+C4H8-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-4+HO2 = CH2CHO+C3H6+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10O1-5+HO2 = CH2O+C4H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10O2-3+HO2 = C2H3COCH3+CH3+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H10O2-4+HO2 = CH3CHO+C3H5-S+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC5H11O2+NEOC5H12 = NEOC5H11O2H+NEOC5H11 2.419E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC5H12+CH3O2 = NEOC5H11+CH3O2H 2.419E+13 0.00 2.043E+04 REV / 3.600E+12 0.00 9.800E+03 / NEOC5H11O2 = NEOC5H11+O2 5.279E+25 -3.90 3.585E+04 REV / 1.990E+17 -2.10 0.000E+00 / NEOC5H11+NEOC5H11O2 = NEOC5H11O+NEOC5H11O 7.000E+12 0.00 -1.000E+03 REV / 2.420E+14 -0.31 2.993E+04 / NEOC5H11O2 = NEOC5H10OOH 1.125E+11 0.00 2.440E+04 REV / 9.144E+10 -0.51 8.950E+03 / NEOC5H11O2+HO2 = NEOC5H11O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.104E+13 -0.83 3.448E+04 / NEOC5H11O2+H2O2 = NEOC5H11O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / NEOC5H11O2+CH3O2 = NEOC5H11O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / NEOC5H11O2+NEOC5H11O2 = O2+NEOC5H11O+NEOC5H11O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / NEOC5H11O2H = NEOC5H11O+OH 1.500E+16 0.00 4.250E+04 REV / 1.386E+08 1.75 -3.055E+03 / NEOC5H11O = CH2O+TC4H9 1.349E+22 -2.34 1.899E+04 REV / 2.000E+11 0.00 1.190E+04 / NEOC5H10OOH = NEO-C5H10O+OH 2.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC5H10OOH = OH+CH2O+IC4H8 3.011E+17 -1.17 2.995E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC5H10OOH-O2 = NEOC5H10OOH+O2 1.366E+25 -3.74 3.570E+04 REV / 1.990E+17 -2.10 0.000E+00 / NEOC5H10OOH-O2 = NEOC5H9Q2-N 2.500E+10 0.00 2.140E+04 REV / 4.436E+10 -0.51 1.096E+04 / NEO-C5H10O+OH = TC4H8CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / NEO-C5H10O+OH = IC4H7+CH2O+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / NEO-C5H10O+HO2 = TC4H8CHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / NEO-C5H10O+HO2 = IC4H7+CH2O+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C3H6+O2 = C3H5-A+HO2 4.000E+12 0.00 3.990E+04 REV / 3.332E+10 0.34 -5.560E+02 / C3H6+CH3 = C3H5-A+CH4 2.210E+00 3.50 5.675E+03 REV / 2.647E+01 3.51 2.318E+04 / C3H6+CH3 = C3H5-S+CH4 1.348E+00 3.50 1.285E+04 REV / 1.048E-01 3.99 6.925E+03 / C3H6+CH3 = C3H5-T+CH4 8.400E-01 3.50 1.166E+04 REV / 1.496E-02 4.19 7.842E+03 / C3H6+C2H5 = C3H5-A+C2H6 1.000E+11 0.00 9.800E+03 REV / 5.369E+05 1.33 1.644E+04 / C3H5-T = C2H2+CH3 2.163E+10 -8.31 4.511E+04 REV / 1.610E+10 -8.58 2.033E+04 / C3H5-A+HO2 = C2H3+CH2O+OH 1.000E-18 0.00 0.000E+00 REV / 1.000E-30 0.00 0.000E+00 / C3H5-A+H = C3H4-A+H2 1.810E+13 0.00 0.000E+00 REV / 1.230E+13 0.12 4.723E+04 / C3H5-A+CH3 = C3H4-A+CH4 1.000E+11 0.00 0.000E+00 REV / 4.921E+12 0.05 4.778E+04 / C3H5-A+C2H5 = C2H6+C3H4-A 4.000E+11 0.00 0.000E+00 REV / 1.802E+12 0.05 4.033E+04 / C3H5-A+C2H5 = C2H4+C3H6 4.000E+11 0.00 0.000E+00 REV / 6.937E+16 -1.33 5.280E+04 / C3H5-A+C2H3 = C2H4+C3H4-A 1.000E+12 0.00 0.000E+00 REV / 1.624E+13 0.05 4.819E+04 / C3H4-A+C3H6 = C3H5-A+C3H5-A 8.391E+17 -1.29 3.369E+04 REV / 1.000E+12 0.00 0.000E+00 / C3H5-A+O2 = C2H3CHO+OH 2.470E+13 -0.44 2.302E+04 REV / 1.903E+14 -0.80 7.488E+04 / C3H5-S+O2 = CH3CHO+HCO 4.335E+12 0.00 0.000E+00 REV / 1.611E+17 -1.27 9.653E+04 / C3H5-S+H = C3H4-A+H2 3.333E+12 0.00 0.000E+00 REV / 7.977E+12 0.11 6.886E+04 / C3H5-S+CH3 = C3H4-A+CH4 1.000E+11 0.00 0.000E+00 REV / 6.253E+12 0.11 6.934E+04 / C3H5-T+O2 = CH3COCH2+O 3.810E+17 -1.36 5.580E+03 REV / 2.000E+11 0.00 1.750E+04 / C3H5-T+H = C3H4-P+H2 3.333E+12 0.00 0.000E+00 REV / 2.138E+16 -0.88 7.105E+04 / C3H5-T+CH3 = C3H4-P+CH4 1.000E+11 0.00 0.000E+00 REV / 1.676E+16 -0.88 7.153E+04 / C3H4-A+M = C3H3+H+M 1.143E+17 0.00 7.000E+04 REV / 1.798E+15 -0.38 1.061E+04 / C3H4-A = C3H4-P 1.202E+15 0.00 9.240E+04 REV / 3.222E+18 -0.99 9.659E+04 / C3H4-A+O2 = C3H3+HO2 4.000E+13 0.00 3.916E+04 REV / 1.175E+11 0.30 3.800E+01 / C3H4-A+HO2 = CH2CO+CH2+OH 4.000E+12 0.00 1.900E+04 REV / 1.000E+00 0.00 0.000E+00 / C3H3+H = C3H2+H2 5.000E+13 0.00 0.000E+00 REV / 3.853E+10 0.38 4.600E+03 / C3H4-A+OH = C3H3+H2O 1.000E+07 2.00 1.000E+03 REV / 7.003E+06 1.97 3.452E+04 / C3H4-A+O = C2H4+CO 7.800E+12 0.00 1.600E+03 REV / 8.280E+13 -0.21 1.248E+05 / C3H2+OH = C2H2+HCO 5.000E+13 0.00 0.000E+00 REV / 2.907E+20 -1.39 7.852E+04 / C3H5-A = C3H4-A+H 6.663E+15 -0.43 6.322E+04 REV / 2.400E+11 0.69 3.007E+03 / C3H5-T = C3H4-A+H 3.508E+14 -0.44 4.089E+04 REV / 8.500E+12 0.00 2.000E+03 / C3H4-A+H = C3H3+H2 2.000E+07 2.00 5.000E+03 REV / 3.235E+06 1.97 2.336E+04 / C3H4-A+CH3 = C3H3+CH4 3.670E-02 4.01 6.830E+03 REV / 1.551E-01 3.98 2.567E+04 / C3H4-A+C3H5-A = C3H3+C3H6 2.000E+11 0.00 7.700E+03 REV / 2.644E+19 -2.71 4.214E+04 / C3H4-A+C2H = C3H3+C2H2 1.000E+13 0.00 0.000E+00 REV / 1.420E+16 -1.38 5.382E+04 / C3H4-P+M = C3H3+H+M 1.143E+17 0.00 7.000E+04 REV / 6.708E+11 0.61 6.420E+03 / C3H4-P = C2H+CH3 4.200E+16 0.00 1.000E+05 REV / 1.018E+12 0.61 -1.600E+03 / IC4H7-I1 = C3H4-P+CH3 2.103E+12 0.08 2.995E+04 REV / 1.000E+11 0.00 9.200E+03 / C3H4-P+O2 = C3H3+HO2 2.000E+13 0.00 4.160E+04 REV / 2.354E+11 0.14 7.800E+01 / C3H4-P+HO2 = C2H4+CO+OH 3.000E+12 0.00 1.900E+04 REV / 1.000E+00 0.00 0.000E+00 / C3H4-P+OH = C3H3+H2O 1.000E+07 2.00 1.000E+03 REV / 2.805E+07 1.81 3.212E+04 / C3H4-P+O = C3H3+OH 7.650E+08 1.50 8.600E+03 REV / 2.177E+08 1.31 2.247E+04 / C3H4-P+O = C2H3+HCO 3.200E+12 0.00 2.010E+03 REV / 2.548E+12 -0.39 3.235E+04 / C3H4-P+O = HCCO+CH3 9.600E+08 1.00 0.000E+00 REV / 1.643E+10 -0.20 2.409E+04 / C3H5-T = C3H4-P+H 1.075E+15 -0.60 3.849E+04 REV / 6.500E+12 0.00 2.000E+03 / C3H5-S = C3H4-P+H 4.187E+15 -0.79 3.748E+04 REV / 5.800E+12 0.00 3.100E+03 / C3H4-P+H = C3H3+H2 2.000E+07 2.00 5.000E+03 REV / 1.296E+07 1.81 2.096E+04 / C3H4-P+CH3 = C3H3+CH4 1.500E+00 3.50 5.600E+03 REV / 2.539E+01 3.31 2.204E+04 / C3H4-P+C2H = C3H3+C2H2 1.000E+12 0.00 0.000E+00 REV / 5.297E+11 -0.39 4.963E+04 / C3H4-P+C2H3 = C3H3+C2H4 1.000E+12 0.00 7.700E+03 REV / 9.541E+11 -0.39 5.245E+04 / C3H4-P+C3H5-A = C3H3+C3H6 1.000E+12 0.00 7.700E+03 REV / 4.931E+16 -1.73 3.795E+04 / C3H3+O = CH2O+C2H 1.000E+13 0.00 0.000E+00 REV / 5.446E+14 0.00 3.161E+04 / C3H3+OH = C3H2+H2O 1.000E+13 0.00 0.000E+00 REV / 1.343E+15 0.00 1.568E+04 / C3H3+O2 = CH2CO+HCO 3.010E+10 0.00 2.870E+03 REV / 4.881E+11 0.00 5.947E+04 / C3H3+CH3 = C2H5+C2H 4.564E+17 -1.10 4.873E+04 REV / 1.810E+13 0.00 0.000E+00 / SC4H9O2 = SC4H9+O2 2.056E+17 -0.68 3.574E+04 REV / 7.540E+12 0.00 0.000E+00 / SC4H9+HO2 = SC4H9O+OH 7.000E+12 0.00 -1.000E+03 REV / 7.138E+12 0.19 2.668E+04 / CH3O2+SC4H9 = CH3O+SC4H9O 7.000E+12 0.00 -1.000E+03 REV / 6.972E+14 -0.39 3.144E+04 / PC4H9O2 = PC4H9+O2 6.155E+19 -1.38 3.551E+04 REV / 4.520E+12 0.00 0.000E+00 / PC4H9+HO2 = PC4H9O+OH 7.000E+12 0.00 -1.000E+03 REV / 3.046E+15 -0.48 2.672E+04 / CH3O2+PC4H9 = CH3O+PC4H9O 7.000E+12 0.00 -1.000E+03 REV / 2.975E+17 -1.06 3.148E+04 / TC4H9O2 = TC4H9+O2 4.897E+24 -2.51 3.746E+04 REV / 1.410E+13 0.00 0.000E+00 / TC4H9+HO2 = TC4H9O+OH 7.000E+12 0.00 -1.000E+03 REV / 3.528E+19 -1.62 2.949E+04 / CH3O2+TC4H9 = CH3O+TC4H9O 7.000E+12 0.00 -1.000E+03 REV / 3.446E+21 -2.20 3.425E+04 / IC4H9O2 = IC4H9+O2 1.260E+20 -1.61 3.567E+04 REV / 2.260E+12 0.00 0.000E+00 / IC4H9+HO2 = IC4H9O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.262E+16 -0.72 2.668E+04 / CH3O2+IC4H9 = CH3O+IC4H9O 7.000E+12 0.00 -1.000E+03 REV / 1.233E+18 -1.30 3.144E+04 / C2H3O1-2 = CH3CO 8.500E+14 0.00 1.400E+04 REV / 1.488E+14 -0.01 4.768E+04 / C2H3O1-2 = CH2CHO 1.000E+14 0.00 1.400E+04 REV / 1.615E+15 -0.41 4.246E+04 / CH2CHO = CH2CO+H 3.094E+15 -0.26 5.082E+04 REV / 5.000E+13 0.00 1.230E+04 / CH2CHO+O2 = CH2O+CO+OH 2.000E+13 0.00 4.200E+03 REV / 0.000E+00 0.00 0.000E+00 / C3KET12 = CH3CHO+HCO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / C3KET13 = CH2O+CH2CHO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C3KET21 = CH2O+CH3CO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NC4KET12 = C2H5CHO+HCO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NC4KET13 = CH3CHO+CH2CHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NC4KET14 = CH2CH2CHO+CH2O+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NC4KET21 = CH2O+C2H5CO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NC4KET23 = CH3CHO+CH3CO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NC4KET24 = CH2O+CH3COCH2+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC4KETII = CH2O+C2H5CO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC4KETIT = CH3COCH3+HCO+OH 9.500E+15 0.00 4.254E+04 REV / 0.000E+00 0.00 0.000E+00 / NC5KET12 = NC3H7CHO+HCO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NC5KET13 = C2H5CHO+CH2CHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NC5KET14 = CH3CHO+CH2CH2CHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NC5KET15 = CH2O+C3H6CHO-1+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NC5KET21 = CH2O+NC3H7CO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NC5KET23 = C2H5CHO+CH3CO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NC5KET24 = CH3CHO+CH3COCH2+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NC5KET25 = CH2O+CH2CH2COCH3+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NC5KET31 = CH2O+C2H5COCH2+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NC5KET32 = CH3CHO+C2H5CO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / IC5KETAA = CH2O+C3H6CHO-3+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC5KETAB = C2H5COCH3+HCO+OH 9.500E+15 0.00 4.254E+04 REV / 0.000E+00 0.00 0.000E+00 / IC5KETAC = CH3CHO+CH3CHCHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / IC5KETAD = CH2O+IC3H6CHO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC5KETCA = CH2O+CH3CHCOCH3+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC5KETCB = CH3COCH3+CH3CO+OH 9.500E+15 0.00 4.254E+04 REV / 0.000E+00 0.00 0.000E+00 / IC5KETCD = CH2O+IC3H7CO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC5KETDA = CH2O+C3H6CHO-2+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC5KETDB = CH3COCH3+CH2CHO+OH 9.500E+15 0.00 4.254E+04 REV / 0.000E+00 0.00 0.000E+00 / IC5KETDC = IC3H7CHO+HCO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC5KET = NEOC5KETOX+OH 1.500E+16 0.00 4.200E+04 REV / 1.528E+08 1.73 -3.765E+03 / O2CHO = HCO+O2 7.766E+26 -3.96 4.423E+04 REV / 1.200E+11 0.00 -1.100E+03 / C3H8+O2CHO = NC3H7+HO2CHO 5.520E+04 2.55 1.648E+04 REV / 1.187E-08 5.54 -1.920E+03 / C3H8+O2CHO = IC3H7+HO2CHO 1.475E+04 2.60 1.391E+04 REV / 7.838E-06 4.65 -3.000E+01 / IC4H10+O2CHO = IC4H9+HO2CHO 2.520E+13 0.00 2.044E+04 REV / 1.006E+00 3.06 2.375E+03 / IC4H10+O2CHO = TC4H9+HO2CHO 2.800E+12 0.00 1.601E+04 REV / 1.893E+01 2.72 4.678E+03 / C4H10+O2CHO = PC4H9+HO2CHO 1.680E+13 0.00 2.044E+04 REV / 3.680E+00 2.99 2.505E+03 / C4H10+O2CHO = SC4H9+HO2CHO 1.120E+13 0.00 1.769E+04 REV / 7.595E+03 2.06 4.266E+03 / NC5H12+O2CHO = C5H11-1+HO2CHO 1.680E+13 0.00 2.044E+04 REV / 1.368E+00 3.11 2.295E+03 / NC5H12+O2CHO = C5H11-2+HO2CHO 1.120E+13 0.00 1.769E+04 REV / 4.306E+03 2.13 4.147E+03 / NC5H12+O2CHO = C5H11-3+HO2CHO 5.600E+12 0.00 1.769E+04 REV / 4.318E+03 2.13 4.149E+03 / IC5H12+O2CHO = CC5H11+HO2CHO 5.600E+12 0.00 1.769E+04 REV / 4.350E+03 2.12 4.135E+03 / IC5H12+O2CHO = DC5H11+HO2CHO 8.400E+12 0.00 2.044E+04 REV / 3.009E+00 3.01 2.459E+03 / NEOC5H12+O2CHO = NEOC5H11+HO2CHO 3.360E+13 0.00 2.044E+04 REV / 1.024E+03 2.13 4.204E+03 / CH2O+O2CHO = HCO+HO2CHO 1.990E+12 0.00 1.167E+04 REV / 2.331E+02 2.30 4.687E+03 / HO2CHO = OCHO+OH 5.010E+14 0.00 4.015E+04 REV / 2.322E+06 2.15 6.550E+02 / OCHO+M = H+CO2+M 2.443E+15 -0.50 2.650E+04 REV / 7.500E+13 0.00 2.900E+04 / C3H5-A+O2 = C3H4-A+HO2 2.180E+21 -2.85 3.076E+04 REV / 2.690E+19 -2.40 2.050E+04 / C3H5-A+O2 = CH2CHO+CH2O 7.140E+15 -1.21 2.105E+04 REV / 4.944E+16 -1.40 8.862E+04 / C3H5-A+O2 = C2H2+CH2O+OH 9.720E+29 -5.71 2.145E+04 REV / 0.000E+00 0.00 0.000E+00 / HCCO+O2 = CO2+HCO 2.400E+11 0.00 -8.540E+02 REV / 1.474E+14 0.00 1.336E+05 / C3H6+H = C3H5-S+H2 8.040E+05 2.50 1.228E+04 REV / 2.393E+03 2.99 5.876E+03 / CH2CO+OH = CH2OH+CO 3.730E+12 0.00 -1.013E+03 REV / 9.430E+06 1.66 2.749E+04 / CH3+O2 = CH2O+OH 7.470E+11 0.00 1.425E+04 REV / 7.778E+11 0.00 6.777E+04 / C2H4+H2 = CH3+CH3 3.767E+12 0.83 8.471E+04 REV / 1.000E+14 0.00 3.200E+04 / C3H5-T+O2 = CH2O+CH3CO 3.710E+25 -3.96 7.043E+03 REV / 1.872E+27 -4.43 1.012E+05 / IC3H7CHO = TC3H6CHO+H 2.304E+18 -0.91 9.200E+04 REV / 2.000E+14 0.00 0.000E+00 / NEOC5H10OOH = IC4H7OOH+CH3 3.386E+18 -1.40 3.003E+04 REV / 1.250E+11 0.00 1.010E+04 / IC4H7O+NEOC5H12 = IC4H7OH+NEOC5H11 5.400E+11 0.00 4.000E+03 REV / 1.000E+10 0.00 9.000E+03 / TC3H6CHO+NEOC5H12 = IC3H7CHO+NEOC5H11 9.400E+02 3.30 1.984E+04 REV / 7.159E+01 3.22 9.819E+03 / IC4H9O = IC3H7CHO+H 4.000E+14 0.00 2.150E+04 REV / 1.139E+10 1.08 2.500E+03 / IC3H7CHO+HO2 = IC3H7CO+H2O2 3.000E+12 0.00 1.192E+04 REV / 7.707E+12 -0.33 1.199E+04 / IC3H7CHO+HO2 = TC3H6CHO+H2O2 8.000E+10 0.00 1.192E+04 REV / 3.366E+12 -0.42 1.105E+04 / IC3H7CHO+CH3 = IC3H7CO+CH4 3.980E+12 0.00 8.700E+03 REV / 2.325E+13 -0.06 2.563E+04 / IC3H7CHO+O = IC3H7CO+OH 7.180E+12 0.00 1.389E+03 REV / 7.052E+11 -0.06 1.574E+04 / IC3H7CHO+O2 = IC3H7CO+HO2 4.000E+13 0.00 3.760E+04 REV / 1.625E+11 0.27 -3.432E+03 / IC3H7CHO+OH = IC3H7CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.164E+10 0.75 3.120E+04 / IC3H7CHO+OH = TC3H6CHO+H2O 1.684E+12 0.00 -7.810E+02 REV / 1.194E+13 -0.09 2.981E+04 / IC3H7CHO+H = IC3H7CO+H2 2.600E+12 0.00 2.600E+03 REV / 1.000E+00 0.00 0.000E+00 / IC3H7CHO = IC3H7+HCO 1.129E+17 -0.03 7.976E+04 REV / 1.810E+13 0.00 0.000E+00 / IC3H7CO = IC3H7+CO 1.426E+13 -0.04 1.095E+04 REV / 1.500E+11 0.00 4.810E+03 / IC3H7CHO+OH = IC3H6CHO+H2O 3.120E+06 2.00 -2.980E+02 REV / 6.388E+05 1.99 1.913E+04 / IC3H7CHO+HO2 = IC3H6CHO+H2O2 2.740E+04 2.55 1.550E+04 REV / 3.330E+04 2.21 3.468E+03 / IC3H7CHO+CH3O2 = IC3H6CHO+CH3O2H 4.760E+04 2.55 1.649E+04 REV / 2.377E+05 2.04 3.742E+03 / AC5H10 = C3H5-T+C2H5 6.247E+22 -1.95 9.940E+04 REV / 1.500E+12 0.00 0.000E+00 / IC4H6OH+NEOC5H12 = IC4H7OH+NEOC5H11 9.400E+02 3.30 1.984E+04 REV / 5.077E-01 3.74 7.668E+03 / IC4H9O+HO2 = IC3H7CHO+H2O2 1.000E+12 0.00 0.000E+00 REV / 1.380E+13 -0.25 7.213E+04 / IC4H9O+OH = IC3H7CHO+H2O 1.810E+13 0.00 0.000E+00 REV / 4.209E+13 0.08 1.036E+05 / IC4H9O+CH3 = IC3H7CHO+CH4 2.400E+13 0.00 0.000E+00 REV / 3.368E+14 0.08 8.892E+04 / IC4H9O+O = IC3H7CHO+OH 6.000E+12 0.00 0.000E+00 REV / 1.415E+12 0.08 8.635E+04 / IC4H9O+H = IC3H7CHO+H2 1.990E+13 0.00 0.000E+00 REV / 1.069E+13 0.08 8.844E+04 / IC3H7+OH = C3H6+H2O 2.410E+13 0.00 0.000E+00 REV / 2.985E+12 0.57 8.382E+04 / IC3H7+O = CH3COCH3+H 4.818E+13 0.00 0.000E+00 REV / 1.293E+16 -0.19 7.938E+04 / IC3H7+O = CH3CHO+CH3 4.818E+13 0.00 0.000E+00 REV / 1.279E+11 0.80 8.648E+04 / C3H6+H = C3H5-T+H2 4.050E+05 2.50 9.794E+03 REV / 2.761E+02 3.19 5.500E+03 / C3H6 = C3H5-T+H 5.620E+71 -16.58 1.393E+05 REV / 2.032E+64 -14.89 2.755E+04 / IC4H8O = IC3H7CHO 4.180E+13 0.00 5.272E+04 REV / 1.392E+10 0.55 7.205E+04 / NEO-C5H10O = IC4H8+CH2O 3.800E+15 0.00 6.070E+04 REV / 3.152E+04 1.99 5.973E+04 / NEO-C5H10O+H = TC4H8CHO+H2 3.544E+07 2.00 5.000E+03 REV / 0.000E+00 0.00 0.000E+00 / NEO-C5H10O+H = IC4H7+CH2O+H2 1.330E+06 2.54 6.756E+03 REV / 0.000E+00 0.00 0.000E+00 / NEOC5H12+CH2CCH2OH = NEOC5H11+C3H5OH 1.590E+12 0.00 2.050E+04 REV / 4.968E+11 -0.22 2.962E+04 / C2H4+HO2 = C2H4O1-2+OH 2.230E+12 0.00 1.719E+04 REV / 1.082E+14 -0.17 3.779E+04 / NC3H7CHO+O2 = NC3H7CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.50 4.000E+03 / NC3H7CHO+OH = NC3H7CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.852E+10 0.75 3.122E+04 / NC3H7CHO+H = NC3H7CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / NC3H7CHO+O = NC3H7CO+OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / NC3H7CHO+HO2 = NC3H7CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / NC3H7CHO+CH3 = NC3H7CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / NC3H7CHO+CH3O = NC3H7CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / NC3H7CHO+CH3O2 = NC3H7CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / NC3H7CHO+OH = C3H6CHO-1+H2O 5.270E+09 0.97 1.586E+03 REV / 1.089E+09 0.96 2.102E+04 / NC3H7CHO+OH = C3H6CHO-2+H2O 4.670E+07 1.61 -3.500E+01 REV / 8.057E+05 1.91 2.194E+04 / NC3H7CHO+OH = C3H6CHO-3+H2O 2.700E+09 1.00 -1.490E+02 REV / 6.194E+10 0.75 2.874E+04 / NC3H7CHO+HO2 = C3H6CHO-1+H2O2 9.030E-01 3.65 7.153E+03 REV / 1.108E+00 3.31 -4.874E+03 / NC3H7CHO+HO2 = C3H6CHO-2+H2O2 1.475E+04 2.60 1.391E+04 REV / 1.511E+03 2.57 4.424E+03 / NC3H7CHO+HO2 = C3H6CHO-3+H2O2 3.610E+03 2.55 1.053E+04 REV / 4.916E+05 1.97 7.954E+03 / NC3H7CHO+CH3O2 = C3H6CHO-1+CH3O2H 6.030E+12 0.00 1.938E+04 REV / 3.040E+13 -0.51 6.628E+03 / NC3H7CHO+CH3O2 = C3H6CHO-2+CH3O2H 9.630E+03 2.60 1.391E+04 REV / 4.053E+03 2.40 3.704E+03 / NC3H7CHO+CH3O2 = C3H6CHO-3+CH3O2H 9.630E+03 2.60 1.151E+04 REV / 5.389E+06 1.84 8.212E+03 / NC3H7CO = NC3H7+CO 5.325E+15 -0.86 1.340E+04 REV / 1.500E+11 0.00 4.800E+03 / C2H5COCH3+OH = CH2CH2COCH3+H2O 7.550E+09 0.97 1.586E+03 REV / 1.527E+09 0.96 2.102E+04 / C2H5COCH3+OH = CH3CHCOCH3+H2O 8.450E+11 0.00 -2.280E+02 REV / 1.586E+13 -0.23 2.862E+04 / C2H5COCH3+OH = C2H5COCH2+H2O 5.100E+11 0.00 1.192E+03 REV / 6.628E+13 -0.70 2.767E+04 / C2H5COCH3+HO2 = CH2CH2COCH3+H2O2 2.380E+04 2.55 1.649E+04 REV / 2.857E+04 2.22 4.459E+03 / C2H5COCH3+HO2 = CH3CHCOCH3+H2O2 2.000E+11 0.00 8.698E+03 REV / 2.229E+13 -0.55 6.080E+03 / C2H5COCH3+HO2 = C2H5COCH2+H2O2 2.380E+04 2.55 1.469E+04 REV / 1.836E+07 1.52 9.702E+03 / C2H5COCH3+O = CH2CH2COCH3+OH 2.250E+13 0.00 7.700E+03 REV / 4.616E+11 -0.01 9.882E+03 / C2H5COCH3+O = CH3CHCOCH3+OH 3.070E+13 0.00 3.400E+03 REV / 5.847E+13 -0.23 1.500E+04 / C2H5COCH3+O = C2H5COCH2+OH 5.000E+12 0.00 5.962E+03 REV / 6.592E+13 -0.70 1.519E+04 / C2H5COCH3+H = CH2CH2COCH3+H2 9.160E+06 2.00 7.700E+03 REV / 4.279E+05 1.99 1.198E+04 / C2H5COCH3+H = CH3CHCOCH3+H2 4.460E+06 2.00 3.200E+03 REV / 1.934E+07 1.77 1.689E+04 / C2H5COCH3+H = C2H5COCH2+H2 9.300E+12 0.00 6.357E+03 REV / 2.792E+14 -0.70 1.768E+04 / C2H5COCH3+O2 = CH2CH2COCH3+HO2 2.050E+13 0.00 5.131E+04 REV / 1.740E+10 0.32 -1.895E+03 / C2H5COCH3+O2 = CH3CHCOCH3+HO2 1.550E+13 0.00 4.197E+04 REV / 1.221E+12 0.10 -1.822E+03 / C2H5COCH3+O2 = C2H5COCH2+HO2 2.050E+13 0.00 4.915E+04 REV / 1.118E+13 -0.37 2.988E+03 / C2H5COCH3+CH3 = CH2CH2COCH3+CH4 3.190E+01 3.17 7.172E+03 REV / 3.893E+01 3.16 1.193E+04 / C2H5COCH3+CH3 = CH3CHCOCH3+CH4 1.740E+00 3.46 3.680E+03 REV / 1.971E+02 3.23 1.785E+04 / C2H5COCH3+CH3 = C2H5COCH2+CH4 1.620E+11 0.00 9.630E+03 REV / 1.270E+14 -0.70 2.143E+04 / C2H5COCH3+CH3O = CH2CH2COCH3+CH3OH 2.170E+11 0.00 6.460E+03 REV / 4.887E+09 0.02 9.007E+03 / C2H5COCH3+CH3O = CH3CHCOCH3+CH3OH 1.450E+11 0.00 2.771E+03 REV / 3.031E+11 -0.20 1.473E+04 / C2H5COCH3+CH3O = C2H5COCH2+CH3OH 2.170E+11 0.00 4.660E+03 REV / 3.140E+12 -0.68 1.425E+04 / C2H5COCH3+CH3O2 = CH2CH2COCH3+CH3O2H 3.010E+12 0.00 1.938E+04 REV / 7.525E+12 -0.51 4.329E+03 / C2H5COCH3+CH3O2 = CH3CHCOCH3+CH3O2H 2.000E+12 0.00 1.525E+04 REV / 4.641E+14 -0.73 9.612E+03 / C2H5COCH3+CH3O2 = C2H5COCH2+CH3O2H 3.010E+12 0.00 1.758E+04 REV / 4.836E+15 -1.20 9.572E+03 / C2H5COCH3+C2H3 = CH2CH2COCH3+C2H4 5.000E+11 0.00 1.040E+04 REV / 3.436E+08 0.82 1.403E+04 / C2H5COCH3+C2H3 = CH3CHCOCH3+C2H4 3.000E+11 0.00 3.400E+03 REV / 1.914E+10 0.60 1.644E+04 / C2H5COCH3+C2H3 = C2H5COCH2+C2H4 6.150E+10 0.00 4.278E+03 REV / 2.716E+10 0.13 1.495E+04 / C2H5COCH3+C2H5 = CH2CH2COCH3+C2H6 5.000E+10 0.00 1.340E+04 REV / 9.549E+12 -0.57 1.399E+04 / C2H5COCH3+C2H5 = CH3CHCOCH3+C2H6 3.000E+10 0.00 8.600E+03 REV / 5.319E+14 -0.79 1.860E+04 / C2H5COCH3+C2H5 = C2H5COCH2+C2H6 5.000E+10 0.00 1.160E+04 REV / 6.136E+15 -1.26 1.923E+04 / CH3CHOOCOCH3 = CH3CHCOCH3+O2 1.372E+17 -1.69 2.846E+04 REV / 1.000E+11 0.00 0.000E+00 / CH3CHOOCOCH3 = CH2CHOOHCOCH3 8.900E+12 0.00 2.970E+04 REV / 4.703E+13 -0.52 1.696E+04 / CH2CHOOHCOCH3 = C2H3COCH3+HO2 2.026E+19 -2.35 1.413E+04 REV / 7.000E+10 0.00 7.800E+03 / IC3H6CO+H = IC3H7+CO 4.400E+12 0.00 1.459E+03 REV / 0.000E+00 0.00 0.000E+00 / IC3H6CO+O = CH3COCH3+CO 3.200E+12 0.00 -4.370E+02 REV / 0.000E+00 0.00 0.000E+00 / CH3CHCO+OH = C2H5+CO2 1.730E+12 0.00 -1.010E+03 REV / 0.000E+00 0.00 0.000E+00 / CH3CHCO+OH = SC2H4OH+CO 2.000E+12 0.00 -1.010E+03 REV / 0.000E+00 0.00 0.000E+00 / CH3CHCO+H = C2H5+CO 4.400E+12 0.00 1.459E+03 REV / 0.000E+00 0.00 0.000E+00 / CH3CHCO+O = CH3CHO+CO 3.200E+12 0.00 -4.370E+02 REV / 0.000E+00 0.00 0.000E+00 / CH2CH2CHO = C2H4+HCO 3.127E+13 -0.52 2.459E+04 REV / 1.500E+11 0.00 8.300E+03 / CH2CH2COCH3 = C2H4+CH3CO 5.970E+12 0.00 2.073E+04 REV / 2.110E+11 0.00 7.350E+03 / C2H5COCH2 = CH2CO+C2H5 1.570E+13 0.00 3.000E+04 REV / 2.110E+11 0.00 7.350E+03 / C2H5CHCO+OH = NC3H7+CO2 3.730E+12 0.00 -1.010E+03 REV / 0.000E+00 0.00 0.000E+00 / C2H5CHCO+H = NC3H7+CO 4.400E+12 0.00 1.459E+03 REV / 0.000E+00 0.00 0.000E+00 / C2H5CHCO+O = C3H6+CO2 3.200E+12 0.00 -4.370E+02 REV / 0.000E+00 0.00 0.000E+00 / CH3CHCHO+HO2 = C2H5CHO+O2 7.350E+12 0.00 1.310E+03 REV / 8.071E+13 -0.08 4.507E+04 / CH3CHCHO+HO2 = CH3CHOCHO+OH 9.640E+12 0.00 0.000E+00 REV / 1.552E+16 -0.96 2.174E+04 / CH3CHOCHO = CH3CHO+HCO 3.980E+13 0.00 9.700E+03 REV / 4.335E+05 1.72 8.282E+03 / CH3CHCHO = C2H3CHO+H 3.515E+15 -0.51 4.106E+04 REV / 6.500E+12 0.00 2.900E+03 / CH3CHCHO = CH3CHCO+H 1.135E+16 -0.66 4.031E+04 REV / 5.000E+12 0.00 1.200E+03 / CH3CHCHO+H2 = C2H5CHO+H 2.160E+05 2.38 1.899E+04 REV / 4.309E+04 2.63 5.265E+03 / C2H5CHO+HO2 = CH3CHCHO+H2O2 8.000E+10 0.00 1.192E+04 REV / 1.031E+13 -0.57 9.337E+03 / CH3CHCHO+O2 = CH3CHCO+HO2 1.810E+11 0.00 1.840E+03 REV / 2.731E+10 -0.01 1.269E+04 / CH3CHCHO+O2 = C2H3CHO+HO2 2.725E+11 0.00 7.240E+03 REV / 1.726E+11 -0.16 1.904E+04 / CH3CHCHO+O2 = CH3CHO+CO+OH 3.620E+10 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / SC3H5CHO+HO2 = SC3H5CO+H2O2 1.000E+12 0.00 1.192E+04 REV / 1.066E+13 -0.32 1.789E+04 / SC3H5CHO+CH3 = SC3H5CO+CH4 3.980E+12 0.00 8.700E+03 REV / 4.313E+13 0.01 3.146E+04 / SC3H5CHO+O = SC3H5CO+OH 7.180E+12 0.00 1.389E+03 REV / 1.308E+12 0.01 2.157E+04 / SC3H5CHO+O2 = SC3H5CO+HO2 4.000E+13 0.00 3.760E+04 REV / 3.014E+11 0.34 2.394E+03 / SC3H5CHO+H = SC3H5CO+H2 2.600E+12 0.00 2.600E+03 REV / 1.079E+12 0.01 2.488E+04 / SC3H5CHO+OH = SC3H5CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 4.831E+10 0.77 3.709E+04 / SC3H5CO = C3H5-S+CO 8.600E+15 0.00 2.300E+04 REV / 1.000E+11 0.00 6.000E+03 / IC3H5COCH3 = IC3H5CO+CH3 2.200E+17 -0.51 7.522E+04 REV / 9.640E+12 0.00 0.000E+00 / IC3H5COCH3 = C3H5-T+CH3CO 6.070E+24 -2.21 9.696E+04 REV / 9.640E+12 0.00 0.000E+00 / IC3H5COCH3+OH = IC3H5COCH2+H2O 5.100E+11 0.00 1.192E+03 REV / 6.436E+13 -0.70 2.766E+04 / IC3H5COCH3+O = IC3H5COCH2+OH 5.000E+12 0.00 5.962E+03 REV / 6.401E+13 -0.70 1.518E+04 / IC3H5COCH3+H = IC3H5COCH2+H2 9.300E+12 0.00 6.357E+03 REV / 2.711E+14 -0.70 1.767E+04 / IC3H5COCH3+CH3 = IC3H5COCH2+CH4 1.620E+11 0.00 9.630E+03 REV / 1.234E+14 -0.70 2.142E+04 / IC3H5COCH3+HO2 = IC3H5COCH2+H2O2 8.500E+12 0.00 2.046E+04 REV / 1.000E+11 0.00 8.000E+03 / IC3H5COCH3+O2 = IC3H5COCH2+HO2 6.000E+13 0.00 4.600E+04 REV / 2.000E+12 0.00 2.000E+03 / IC3H5COCH2 = C3H5-T+CH2CO 1.000E+14 0.00 3.100E+04 REV / 1.000E+11 0.00 6.000E+03 / IC3H5COCH3+OH = AC3H4COCH3+H2O 3.120E+06 2.00 -2.980E+02 REV / 2.679E+08 1.39 3.246E+04 / IC3H5COCH3+O = AC3H4COCH3+OH 6.030E+10 0.70 7.633E+03 REV / 5.252E+11 0.09 2.314E+04 / IC3H5COCH3+H = AC3H4COCH3+H2 1.730E+05 2.50 2.492E+03 REV / 3.431E+06 1.89 2.009E+04 / IC3H5COCH3+CH3 = AC3H4COCH3+CH4 2.210E+00 3.50 5.675E+03 REV / 1.145E+03 2.89 2.376E+04 / IC3H5COCH3+HO2 = AC3H4COCH3+H2O2 9.640E+03 2.60 1.391E+04 REV / 4.913E+06 1.66 1.520E+04 / IC3H5COCH3+O2 = AC3H4COCH3+HO2 6.030E+13 0.00 4.759E+04 REV / 2.172E+13 -0.28 7.712E+03 / IC3H5COCH3+OH = SC3H5COCH2+H2O 5.100E+11 0.00 1.192E+03 REV / 1.753E+13 -0.57 2.859E+04 / IC3H5COCH3+HO2 = SC3H5COCH2+H2O2 8.500E+12 0.00 2.046E+04 REV / 1.734E+15 -0.90 1.639E+04 / IC3H5COCH3+CH3O2 = AC3H4COCH3+CH3O2H 3.010E+12 0.00 1.938E+04 REV / 3.087E+16 -1.28 1.907E+04 / IC3H5COCH3+CH3O2 = SC3H5COCH2+CH3O2H 3.010E+12 0.00 1.938E+04 REV / 2.523E+15 -1.07 1.459E+04 / SC3H5COCH2 = CH2CO+C3H5-S 1.777E+19 -1.65 5.940E+04 REV / 1.000E+11 0.00 1.190E+04 / AC3H4COCH3 = C3H4-A+CH3CO 1.400E+13 0.00 6.000E+04 REV / 2.684E+00 2.93 1.230E+04 / CH3CHCOCH3 = C2H3COCH3+H 3.417E+16 -0.82 4.177E+04 REV / 5.000E+12 0.00 1.200E+03 / CH3CHCOCH3 = CH3CHCO+CH3 1.406E+15 -0.44 3.834E+04 REV / 1.230E+11 0.00 7.800E+03 / C3H6CHO-3 = C2H5CHCO+H 8.431E+15 -0.60 4.040E+04 REV / 5.000E+12 0.00 1.200E+03 / C3H6CHO-3 = C2H3CHO+CH3 3.174E+14 -0.39 2.990E+04 REV / 1.230E+11 0.00 7.800E+03 / C3H6CHO-2 = SC3H5CHO+H 4.947E+12 -0.15 3.130E+04 REV / 5.000E+12 0.00 2.900E+03 / C3H6CHO-2 = C3H6+HCO 8.249E+12 -0.18 2.190E+04 REV / 1.000E+11 0.00 6.000E+03 / C3H6CHO-1 = C2H4+CH2CHO 7.400E+11 0.00 2.197E+04 REV / 2.110E+11 0.00 7.350E+03 / IC3H6CHO = C3H6+HCO 1.031E+15 -0.62 2.317E+04 REV / 1.000E+11 0.00 7.800E+03 / IC3H6CHO = C2H3CHO+CH3 2.425E+13 -0.27 2.247E+04 REV / 1.000E+11 0.00 7.800E+03 / C2H5COC2H5+OH = C2H5COC2H4P+H2O 1.054E+10 0.97 1.586E+03 REV / 1.194E+09 0.95 2.103E+04 / C2H5COC2H5+OH = C2H5COC2H4S+H2O 1.690E+12 0.00 -2.280E+02 REV / 3.296E+13 -0.32 2.874E+04 / C2H5COC2H5+HO2 = C2H5COC2H4P+H2O2 4.760E+04 2.55 1.649E+04 REV / 3.201E+04 2.20 4.472E+03 / C2H5COC2H5+HO2 = C2H5COC2H4S+H2O2 4.000E+11 0.00 8.698E+03 REV / 4.631E+13 -0.65 6.200E+03 / C2H5COC2H5+O2 = C2H5COC2H4P+HO2 4.100E+13 0.00 5.131E+04 REV / 1.949E+10 0.31 -1.882E+03 / C2H5COC2H5+O2 = C2H5COC2H4S+HO2 3.100E+13 0.00 4.197E+04 REV / 2.537E+12 0.00 -1.702E+03 / C2H5COC2H5+H = C2H5COC2H4P+H2 1.832E+07 2.00 7.700E+03 REV / 4.794E+05 1.98 1.199E+04 / C2H5COC2H5+H = C2H5COC2H4S+H2 8.960E+06 2.00 3.200E+03 REV / 4.036E+07 1.68 1.701E+04 / C2H5COC2H5+C2H3 = C2H5COC2H4P+C2H4 1.000E+12 0.00 1.040E+04 REV / 3.850E+08 0.81 1.404E+04 / C2H5COC2H5+C2H3 = C2H5COC2H4S+C2H4 6.000E+11 0.00 5.600E+03 REV / 3.976E+10 0.50 1.876E+04 / C2H5COC2H5+C2H5 = C2H5COC2H4P+C2H6 1.000E+11 0.00 1.340E+04 REV / 1.070E+13 -0.58 1.400E+04 / C2H5COC2H5+C2H5 = C2H5COC2H4S+C2H6 6.000E+10 0.00 8.600E+03 REV / 1.105E+15 -0.89 1.872E+04 / C2H5COC2H5+CH3O = C2H5COC2H4P+CH3OH 4.340E+11 0.00 6.460E+03 REV / 5.475E+09 0.00 9.020E+03 / C2H5COC2H5+CH3O = C2H5COC2H4S+CH3OH 2.900E+11 0.00 2.771E+03 REV / 6.298E+11 -0.30 1.485E+04 / C2H5COC2H5+CH3O2 = C2H5COC2H4P+CH3O2H 6.020E+12 0.00 1.938E+04 REV / 1.664E+13 -0.52 6.642E+03 / C2H5COC2H5+CH3O2 = C2H5COC2H4S+CH3O2H 4.000E+12 0.00 1.525E+04 REV / 1.903E+15 -0.83 1.203E+04 / C2H5COC2H4S = C2H5COC2H3+H 8.704E+16 -0.82 4.213E+04 REV / 1.300E+13 0.00 1.560E+03 / C2H5COC2H4P = C2H5CO+C2H4 1.548E+17 -1.46 2.784E+04 REV / 7.000E+10 0.00 9.600E+03 / C2H5COC2H3+OH = C2H5COCH2+CH2O 1.000E+10 0.00 0.000E+00 REV / 1.673E+11 -0.39 1.822E+04 / C2H5COC2H3+OH = PC2H4COC2H3+H2O 7.550E+09 0.97 1.586E+03 REV / 1.285E+08 2.53 2.021E+04 / C2H5COC2H3+OH = SC2H4COC2H3+H2O 8.450E+11 0.00 -2.280E+02 REV / 1.350E+13 -0.20 2.860E+04 / C2H5COC2H3+HO2 = C2H5CO+CH2CHO+OH 6.030E+09 0.00 7.949E+03 REV / 1.000E+00 0.00 0.000E+00 / C2H5COC2H3+HO2 = PC2H4COC2H3+H2O2 2.380E+04 2.55 1.649E+04 REV / 2.405E+03 3.78 3.652E+03 / C2H5COC2H3+HO2 = SC2H4COC2H3+H2O2 2.000E+11 0.00 8.698E+03 REV / 1.896E+13 -0.53 6.065E+03 / C2H5COC2H3+CH3O2 = C2H5CO+CH2CHO+CH3O 3.970E+11 0.00 1.705E+04 REV / 1.000E+00 0.00 0.000E+00 / C2H5COC2H3+CH3O2 = PC2H4COC2H3+CH3O2H 3.010E+12 0.00 1.938E+04 REV / 1.250E+12 1.06 5.822E+03 / C2H5COC2H3+CH3O2 = SC2H4COC2H3+CH3O2H 2.000E+12 0.00 1.525E+04 REV / 7.793E+14 -0.71 1.190E+04 / PC2H4COC2H3 = C2H3CO+C2H4 5.263E+14 0.38 2.146E+04 REV / 8.000E+10 0.00 1.130E+04 / SC2H4COC2H3 = CH3CHCO+C2H3 1.637E+16 -0.74 5.459E+04 REV / 8.000E+10 0.00 1.260E+04 / IC3H6CHCOCH3+OH = AC3H5CHCOCH3+H2O 1.530E+08 1.53 8.775E+03 REV / 1.339E+10 1.01 4.143E+04 / IC3H6CHCOCH3+OH = IC3H6CHCOCH2+H2O 5.100E+11 0.00 1.192E+03 REV / 6.120E+07 -0.46 2.807E+04 / IC3H6CHCOCH3+OH = IC3H7CHO+CH3CO 1.000E+11 0.00 0.000E+00 REV / 3.844E+06 1.02 1.555E+04 / IC3H6CHCOCH3+HO2 = AC3H5CHCOCH3+H2O2 2.740E+04 2.55 1.550E+04 REV / 1.423E+07 1.71 1.669E+04 / IC3H6CHCOCH3+HO2 = IC3H6CHCOCH2+H2O2 2.380E+04 2.55 1.469E+04 REV / 1.695E+01 1.76 1.011E+04 / IC3H6CHCOCH3+CH3O2 = AC3H5CHCOCH3+CH3O2H 5.000E+10 0.00 1.192E+04 REV / 1.067E+14 -1.02 1.239E+04 / IC3H6CHCOCH3+CH3O2 = IC3H6CHCOCH2+CH3O2H 3.010E+12 0.00 1.758E+04 REV / 8.811E+09 -0.96 1.227E+04 / AC3H5CHCOCH3+HO2 = IC3H5CHO+CH3CO+OH 1.000E+12 0.00 0.000E+00 REV / 1.000E+00 0.00 0.000E+00 / IC3H6CHCOCH2 = IC4H7+CH2CO 1.401E+14 -1.64 5.075E+04 REV / 8.000E+10 0.00 1.190E+04 / NC3H7COCH3+OH = C3H6COCH3-1+H2O 2.065E+07 1.73 7.530E+02 REV / 3.604E+06 1.75 2.017E+04 / NC3H7COCH3+OH = C3H6COCH3-2+H2O 3.615E+07 1.64 -2.470E+02 REV / 3.668E+05 2.01 2.166E+04 / NC3H7COCH3+OH = C3H6COCH3-3+H2O 8.450E+11 0.00 -2.280E+02 REV / 2.368E+13 -0.28 2.870E+04 / NC3H7COCH3+OH = NC3H7COCH2+H2O 5.100E+11 0.00 1.192E+03 REV / 9.286E+13 -0.74 2.773E+04 / NC3H7COCH3+HO2 = C3H6COCH3-1+H2O2 2.380E+04 2.55 1.649E+04 REV / 2.465E+04 2.24 4.442E+03 / NC3H7COCH3+HO2 = C3H6COCH3-2+H2O2 5.600E+12 0.00 1.770E+04 REV / 3.373E+11 0.05 8.142E+03 / NC3H7COCH3+HO2 = C3H6COCH3-3+H2O2 2.000E+11 0.00 8.698E+03 REV / 3.327E+13 -0.60 6.160E+03 / NC3H7COCH3+HO2 = NC3H7COCH2+H2O2 2.380E+04 2.55 1.469E+04 REV / 2.572E+07 1.48 9.762E+03 / NC3H7COCH3+CH3O2 = C3H6COCH3-1+CH3O2H 3.010E+12 0.00 1.938E+04 REV / 1.281E+13 -0.49 6.607E+03 / NC3H7COCH3+CH3O2 = C3H6COCH3-2+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 4.926E+11 -0.13 6.774E+03 / NC3H7COCH3+CH3O2 = C3H6COCH3-3+CH3O2H 2.000E+12 0.00 1.525E+04 REV / 1.367E+15 -0.78 1.199E+04 / NC3H7COCH3+CH3O2 = NC3H7COCH2+CH3O2H 3.010E+12 0.00 1.758E+04 REV / 1.337E+16 -1.25 1.193E+04 / C3H6COCH3-1 = C2H4+CH3COCH2 2.904E+16 -1.21 2.700E+04 REV / 1.000E+11 0.00 8.600E+03 / C3H6COCH3-2 = C3H6+CH3CO 2.719E+16 -1.05 2.559E+04 REV / 1.000E+11 0.00 7.800E+03 / C3H6COCH3-3 = C2H3COCH3+CH3 9.615E+15 -0.75 3.239E+04 REV / 1.000E+11 0.00 7.800E+03 / NC3H7COCH2 = NC3H7+CH2CO 1.226E+18 -1.40 4.345E+04 REV / 1.000E+11 0.00 1.160E+04 / IC3H7COCH3+OH = IC3H6COCH3+H2O 1.530E+08 1.53 8.775E+03 REV / 4.784E+07 1.46 2.827E+04 / IC3H7COCH3+OH = TC3H6COCH3+H2O 1.684E+12 0.00 -7.810E+02 REV / 2.420E+13 -0.18 2.992E+04 / IC3H7COCH3+OH = IC3H7COCH2+H2O 5.100E+11 0.00 1.192E+03 REV / 8.225E+13 -0.73 2.770E+04 / IC3H7COCH3+HO2 = IC3H6COCH3+H2O2 2.740E+04 2.55 1.550E+04 REV / 5.086E+04 2.16 3.532E+03 / IC3H7COCH3+HO2 = TC3H6COCH3+H2O2 8.000E+10 0.00 1.192E+04 REV / 6.824E+12 -0.51 1.116E+04 / IC3H7COCH3+HO2 = IC3H7COCH2+H2O2 1.380E+04 2.55 1.550E+04 REV / 1.321E+07 1.49 1.054E+04 / IC3H7COCH3+CH3O2 = IC3H6COCH3+CH3O2H 2.000E+04 2.55 1.550E+04 REV / 1.526E+05 1.98 2.812E+03 / IC3H7COCH3+CH3O2 = TC3H6COCH3+CH3O2H 3.610E+03 2.55 8.032E+03 REV / 1.265E+06 1.86 6.554E+03 / IC3H7COCH3+CH3O2 = IC3H7COCH2+CH3O2H 3.010E+12 0.00 1.758E+04 REV / 1.184E+16 -1.23 1.190E+04 / TC3H6COCH3+O2 = CH3COCH3+CH2CO+OH 3.620E+10 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / TC3H6COCH3+O2 = IC3H5COCH3+HO2 2.725E+11 0.00 7.240E+03 REV / 6.631E+09 0.17 1.482E+04 / TC3H6COCH3 = IC3H5COCH3+H 1.830E+17 -0.84 4.394E+04 REV / 1.300E+13 0.00 1.560E+03 / TC3H6COCH3 = IC3H6CO+CH3 2.440E+15 -0.42 4.150E+04 REV / 1.230E+11 0.00 1.060E+04 / IC3H7COCH2 = IC3H7+CH2CO 2.880E+15 -0.54 3.994E+04 REV / 8.000E+10 0.00 1.060E+04 / IC3H6COCH3 = C3H6+CH3CO 5.490E+18 -1.58 2.796E+04 REV / 8.000E+10 0.00 1.060E+04 / NC3H7COC2H5+OH = C3H6COC2H5-1+H2O 2.065E+07 1.73 7.530E+02 REV / 5.173E+06 1.70 2.022E+04 / NC3H7COC2H5+OH = C3H6COC2H5-2+H2O 3.615E+07 1.64 -2.470E+02 REV / 7.233E+05 1.92 2.176E+04 / NC3H7COC2H5+OH = C3H6COC2H5-3+H2O 8.450E+11 0.00 -2.280E+02 REV / 3.313E+13 -0.32 2.874E+04 / NC3H7COC2H5+OH = NC3H7COC2H4P+H2O 5.100E+11 0.00 1.192E+03 REV / 1.278E+11 -0.03 2.066E+04 / NC3H7COC2H5+OH = NC3H7COC2H4S+H2O 8.450E+11 0.00 -2.280E+02 REV / 3.313E+13 -0.32 2.874E+04 / NC3H7COC2H5+HO2 = C3H6COC2H5-1+H2O2 2.380E+04 2.55 1.649E+04 REV / 3.539E+04 2.19 4.492E+03 / NC3H7COC2H5+HO2 = C3H6COC2H5-2+H2O2 5.600E+12 0.00 1.770E+04 REV / 6.652E+11 -0.05 8.242E+03 / NC3H7COC2H5+HO2 = C3H6COC2H5-3+H2O2 2.000E+11 0.00 8.698E+03 REV / 4.654E+13 -0.65 6.200E+03 / NC3H7COC2H5+HO2 = NC3H7COC2H4P+H2O2 2.380E+04 2.55 1.469E+04 REV / 3.539E+04 2.19 2.692E+03 / NC3H7COC2H5+HO2 = NC3H7COC2H4S+H2O2 2.000E+11 0.00 8.698E+03 REV / 4.654E+13 -0.65 6.200E+03 / NC3H7COC2H5+CH3O2 = C3H6COC2H5-1+CH3O2H 3.010E+12 0.00 1.938E+04 REV / 1.839E+13 -0.54 6.657E+03 / NC3H7COC2H5+CH3O2 = C3H6COC2H5-2+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 9.713E+11 -0.22 6.874E+03 / NC3H7COC2H5+CH3O2 = C3H6COC2H5-3+CH3O2H 2.000E+12 0.00 1.525E+04 REV / 1.913E+15 -0.83 1.203E+04 / NC3H7COC2H5+CH3O2 = NC3H7COC2H4P+CH3O2H 3.010E+12 0.00 1.758E+04 REV / 1.839E+13 -0.54 4.862E+03 / NC3H7COC2H5+CH3O2 = NC3H7COC2H4S+CH3O2H 2.000E+12 0.00 1.525E+04 REV / 1.913E+15 -0.83 1.203E+04 / C3H6COC2H5-1 = C2H4+C2H5COCH2 2.218E+15 -0.84 2.359E+04 REV / 2.500E+11 0.00 7.800E+03 / C3H6COC2H5-2 = C3H6+C2H5CO 4.051E+16 -1.11 2.615E+04 REV / 1.000E+11 0.00 8.300E+03 / C3H6COC2H5-3 = C2H5COC2H3+CH3 2.915E+15 -0.68 3.230E+04 REV / 1.000E+11 0.00 7.800E+03 / NC3H7COC2H4P = NC3H7CO+C2H4 5.398E+17 -1.45 2.604E+04 REV / 2.500E+11 0.00 7.800E+03 / NC3H7COC2H4S = CH3CHCO+NC3H7 1.973E+19 -1.49 4.286E+04 REV / 1.000E+11 0.00 1.060E+04 / IC3H7COC2H5+OH = IC3H6COC2H5+H2O 1.530E+08 1.53 8.775E+03 REV / 3.119E+07 1.52 2.821E+04 / IC3H7COC2H5+OH = TC3H6COC2H5+H2O 1.684E+12 0.00 -7.810E+02 REV / 2.480E+13 -0.19 2.992E+04 / IC3H7COC2H5+OH = IC3H7COC2H4P+H2O 5.100E+11 0.00 1.192E+03 REV / 1.040E+11 -0.01 2.063E+04 / IC3H7COC2H5+OH = IC3H7COC2H4S+H2O 4.670E+07 1.61 -3.500E+01 REV / 1.064E+09 1.36 2.884E+04 / IC3H7COC2H5+HO2 = IC3H6COC2H5+H2O2 2.740E+04 2.55 1.550E+04 REV / 3.315E+04 2.22 3.472E+03 / IC3H7COC2H5+HO2 = TC3H6COC2H5+H2O2 8.000E+10 0.00 1.192E+04 REV / 6.993E+12 -0.51 1.116E+04 / IC3H7COC2H5+HO2 = IC3H7COC2H4P+H2O2 1.380E+04 2.55 1.550E+04 REV / 1.670E+04 2.22 3.472E+03 / IC3H7COC2H5+HO2 = IC3H7COC2H4S+H2O2 1.475E+04 2.60 1.391E+04 REV / 1.994E+06 2.02 1.132E+04 / IC3H7COC2H5+CH3O2 = IC3H6COC2H5+CH3O2H 2.000E+04 2.55 1.550E+04 REV / 9.945E+04 2.04 2.752E+03 / IC3H7COC2H5+CH3O2 = TC3H6COC2H5+CH3O2H 3.610E+03 2.55 8.032E+03 REV / 1.297E+06 1.86 6.554E+03 / IC3H7COC2H5+CH3O2 = IC3H7COC2H4P+CH3O2H 6.030E+12 0.00 1.938E+04 REV / 2.998E+13 -0.51 6.627E+03 / IC3H7COC2H5+CH3O2 = IC3H7COC2H4S+CH3O2H 1.770E+12 0.00 1.705E+04 REV / 9.834E+14 -0.76 1.374E+04 / IC3H6COC2H5 = C3H6+C2H5CO 7.391E+18 -1.59 2.568E+04 REV / 1.000E+11 0.00 8.300E+03 / TC3H6COC2H5 = IC3H5COC2H5+H 4.683E+17 -0.85 4.389E+04 REV / 3.100E+13 0.00 1.500E+03 / IC3H7COC2H4P = IC3H7CO+C2H4 1.188E+18 -1.51 2.611E+04 REV / 2.500E+11 0.00 7.800E+03 / IC3H7COC2H4S = CH3CHCO+IC3H7 8.306E+16 -0.68 4.041E+04 REV / 1.000E+11 0.00 1.060E+04 / IC3H7COC2H3+OH = IC3H6COC2H3+H2O 1.530E+08 1.53 8.775E+03 REV / 3.039E+07 1.53 2.821E+04 / IC3H7COC2H3+OH = TC3H6COC2H3+H2O 1.684E+12 0.00 -7.810E+02 REV / 1.073E+10 0.49 2.321E+04 / IC3H7COC2H3+OH = CH3CHO+IC3H7CO 1.530E+08 1.53 8.775E+03 REV / 1.013E+03 2.76 2.841E+04 / IC3H7COC2H3+HO2 = IC3H6COC2H3+H2O2 2.740E+04 2.55 1.550E+04 REV / 3.231E+04 2.22 3.467E+03 / IC3H7COC2H3+HO2 = TC3H6COC2H3+H2O2 8.000E+10 0.00 1.192E+04 REV / 3.027E+09 0.16 4.451E+03 / IC3H7COC2H3+HO2 = CH2CHO+IC3H7CO+OH 6.030E+09 0.00 7.949E+03 REV / 1.000E+00 0.00 0.000E+00 / IC3H7COC2H3+CH3O2 = IC3H6COC2H3+CH3O2H 2.000E+04 2.55 1.550E+04 REV / 9.691E+04 2.04 2.747E+03 / IC3H7COC2H3+CH3O2 = TC3H6COC2H3+CH3O2H 3.610E+03 2.55 8.032E+03 REV / 5.612E+02 2.53 -1.568E+02 / IC3H7COC2H3+CH3O2 = CH2CHO+IC3H7CO+CH3O 3.970E+11 0.00 1.705E+04 REV / 1.000E+00 0.00 0.000E+00 / IC3H6COC2H3 = C3H6+C2H3CO 1.119E+17 -1.24 2.060E+04 REV / 8.000E+10 0.00 1.060E+04 / TC3H6COC2H3 = IC3H6CO+C2H3 1.460E+13 -0.06 4.725E+04 REV / 8.000E+10 0.00 1.160E+04 / IC3H5COC2H5+OH = AC3H4COC2H5+H2O 3.120E+06 2.00 -2.980E+02 REV / 3.534E+08 1.45 3.240E+04 / IC3H5COC2H5+OH = IC3H5COC2H4P+H2O 5.100E+11 0.00 1.192E+03 REV / 1.028E+11 0.00 2.062E+04 / IC3H5COC2H5+OH = IC3H5COC2H4S+H2O 4.670E+07 1.61 -3.500E+01 REV / 8.211E+08 1.39 2.881E+04 / IC3H5COC2H5+OH = CH3COCH3+C2H5CO 1.000E+12 0.00 0.000E+00 REV / 6.042E+10 0.15 2.655E+04 / IC3H5COC2H5+HO2 = AC3H4COC2H5+H2O2 9.640E+03 2.60 1.391E+04 REV / 6.482E+06 1.72 1.514E+04 / IC3H5COC2H5+HO2 = IC3H5COC2H4P+H2O2 1.380E+04 2.55 1.550E+04 REV / 1.652E+04 2.22 3.467E+03 / IC3H5COC2H5+HO2 = IC3H5COC2H4S+H2O2 1.475E+04 2.60 1.391E+04 REV / 1.539E+06 2.06 1.129E+04 / IC3H5COC2H5+CH3O2 = AC3H4COC2H5+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 5.499E+15 -1.05 1.756E+04 / IC3H5COC2H5+CH3O2 = IC3H5COC2H4P+CH3O2H 6.030E+12 0.00 1.938E+04 REV / 2.966E+13 -0.51 6.622E+03 / IC3H5COC2H5+CH3O2 = IC3H5COC2H4S+CH3O2H 1.770E+12 0.00 1.705E+04 REV / 7.591E+14 -0.72 1.371E+04 / AC3H4COC2H5 = C3H4-A+C2H5CO 8.689E+23 -2.93 5.730E+04 REV / 8.000E+10 0.00 9.600E+03 / IC3H5COC2H4P = C2H4+IC3H5CO 2.874E+16 -1.24 1.883E+04 REV / 2.500E+11 0.00 7.800E+03 / IC3H5COC2H4S = CH3CHCO+C3H5-T 1.418E+21 -1.91 5.564E+04 REV / 1.000E+11 0.00 1.060E+04 / NC4H9CHO+O2 = NC4H9CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / NC4H9CHO+OH = NC4H9CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 2.143E+10 0.73 3.124E+04 / NC4H9CHO+H = NC4H9CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / NC4H9CHO+O = NC4H9CO+OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / NC4H9CHO+HO2 = NC4H9CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / NC4H9CHO+CH3 = NC4H9CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / NC4H9CHO+CH3O = NC4H9CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / NC4H9CHO+CH3O2 = NC4H9CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / NC4H9CHO+OH = C4H8CHO-1+H2O 5.270E+09 0.97 1.586E+03 REV / 1.233E+09 0.95 2.104E+04 / NC4H9CHO+OH = C4H8CHO-2+H2O 4.670E+07 1.61 -3.500E+01 REV / 6.837E+05 1.93 2.192E+04 / NC4H9CHO+OH = C4H8CHO-3+H2O 4.670E+07 1.61 -3.500E+01 REV / 6.837E+05 1.93 2.192E+04 / NC4H9CHO+OH = C4H8CHO-4+H2O 4.670E+07 1.61 -3.500E+01 REV / 1.202E+09 1.34 2.887E+04 / NC4H9CHO+HO2 = C4H8CHO-1+H2O2 2.760E+04 2.55 1.648E+04 REV / 3.833E+04 2.20 4.471E+03 / NC4H9CHO+HO2 = C4H8CHO-2+H2O2 1.475E+04 2.60 1.391E+04 REV / 1.282E+03 2.60 4.399E+03 / NC4H9CHO+HO2 = C4H8CHO-3+H2O2 1.475E+04 2.60 1.391E+04 REV / 1.282E+03 2.60 4.399E+03 / NC4H9CHO+HO2 = C4H8CHO-4+H2O2 2.950E+04 2.60 1.391E+04 REV / 4.506E+06 2.00 1.135E+04 / NC4H9CHO+CH3O2 = C4H8CHO-1+CH3O2H 6.030E+12 0.00 1.938E+04 REV / 3.442E+13 -0.53 6.646E+03 / NC4H9CHO+CH3O2 = C4H8CHO-2+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 7.106E+11 -0.18 6.821E+03 / NC4H9CHO+CH3O2 = C4H8CHO-3+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 7.106E+11 -0.18 6.821E+03 / NC4H9CHO+CH3O2 = C4H8CHO-4+CH3O2H 3.980E+12 0.00 1.705E+04 REV / 2.498E+15 -0.77 1.377E+04 / C4H8CHO-1 = C2H4+CH2CH2CHO 5.984E+18 -1.60 3.043E+04 REV / 2.500E+11 0.00 7.800E+03 / C4H8CHO-2 = C3H6+CH2CHO 2.984E+14 -0.76 2.332E+04 REV / 1.000E+11 0.00 7.800E+03 / C4H8CHO-3 = C4H8-1+HCO 4.797E+14 -0.72 2.435E+04 REV / 1.000E+11 0.00 7.800E+03 / C4H8CHO-3 = AC3H5CHO+CH3 3.643E+13 -0.36 3.033E+04 REV / 1.000E+11 0.00 7.800E+03 / C4H8CHO-4 = C2H3CHO+C2H5 1.863E+18 -1.30 3.083E+04 REV / 1.000E+11 0.00 7.800E+03 / NC4H9CO = PC4H9+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000E+00 / AC3H5CHO = C3H5-A+HCO 1.813E+19 -1.08 6.848E+04 REV / 1.000E+13 0.00 0.000E+00 / AC3H5CHO+OH = AC3H5CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.741E+10 0.76 3.120E+04 / AC3H5CHO+OH = C2H3CHCHO+H2O 3.120E+06 2.00 -2.980E+02 REV / 1.246E+08 1.79 3.493E+04 / AC3H5CHO+HO2 = AC3H5CO+H2O2 3.000E+12 0.00 1.192E+04 REV / 1.152E+13 -0.33 1.199E+04 / AC3H5CHO+HO2 = C2H3CHCHO+H2O2 9.630E+03 2.60 1.391E+04 REV / 2.283E+06 2.06 1.767E+04 / AC3H5CHO+CH3O2 = AC3H5CO+CH3O2H 1.000E+12 0.00 1.192E+04 REV / 1.579E+13 -0.51 1.127E+04 / AC3H5CHO+CH3O2 = C2H3CHCHO+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 1.939E+15 -0.72 2.009E+04 / AC3H5CO = C3H5-A+CO 6.199E+15 -1.09 -3.300E+02 REV / 1.500E+11 0.00 4.810E+03 / C2H3CHCHO+HO2 = C2H3CHO+HCO+OH 8.910E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C3H6OH = C3H6+OH 9.365E+12 0.01 2.712E+04 REV / 9.930E+11 0.00 -9.600E+02 / HOC3H6O2 = C3H6OH+O2 2.873E+19 -1.90 3.429E+04 REV / 1.200E+11 0.00 -1.100E+03 / HOC3H6O2 = CH3CHO+CH2O+OH 1.250E+10 0.00 1.890E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC5KETOX = TC3H6CHO+CH2O 8.573E+17 -1.59 1.109E+04 REV / 1.000E+11 0.00 1.190E+04 / NEOC5KETOX = NEOC5KEJOL 2.000E+11 0.00 7.600E+03 REV / 2.541E+09 0.43 2.248E+04 / NEOC5KEJOL = IC4H8OH+CO 2.273E+21 -2.34 1.102E+04 REV / 1.250E+11 0.00 4.800E+03 / NEOC5H10OOH-O2 = NEOC5H9Q2 7.500E+10 0.00 2.440E+04 REV / 1.757E+11 -0.50 8.940E+03 / NEOC5H9Q2 = IC4H7OOH+CH2O+OH 3.417E+14 0.37 3.092E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC5H9Q2 = IC4H6Q2-II+CH3 2.193E+16 -0.71 3.265E+04 REV / 1.000E+11 0.00 1.060E+04 / NEOC5H9Q2-N = NEOC5KET+OH 9.000E+14 0.00 1.500E+03 REV / 1.668E+09 1.58 3.188E+04 / IC4H6Q2-II = C3H4-A+CH2O+HO2+OH 1.000E+16 0.00 4.300E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H11-1+HO2 = C5H11O-1+OH 7.000E+12 0.00 -1.000E+03 REV / 8.079E+15 -0.58 2.701E+04 / C5H11-2+HO2 = C5H11O-2+OH 7.000E+12 0.00 -1.000E+03 REV / 1.144E+13 0.15 2.686E+04 / C5H11-3+HO2 = C5H11O-3+OH 7.000E+12 0.00 -1.000E+03 REV / 1.137E+13 0.15 2.685E+04 / AC5H11+HO2 = AC5H11O+OH 7.000E+12 0.00 -1.000E+03 REV / 6.653E+15 -0.73 2.763E+04 / BC5H11+HO2 = BC5H11O+OH 7.000E+12 0.00 -1.000E+03 REV / 2.103E+19 -1.59 3.018E+04 / CC5H11+HO2 = CC5H11O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.858E+18 -1.36 2.962E+04 / DC5H11+HO2 = DC5H11O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.326E+16 -0.73 2.763E+04 / NEOC5H11+HO2 = NEOC5H11O+OH 7.000E+12 0.00 -1.000E+03 REV / 5.004E+16 -0.88 2.705E+04 / C5H11-1+CH3O2 = C5H11O-1+CH3O 7.000E+12 0.00 -1.000E+03 REV / 7.891E+17 -1.16 3.177E+04 / C5H11-2+CH3O2 = C5H11O-2+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.117E+15 -0.43 3.162E+04 / C5H11-3+CH3O2 = C5H11O-3+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.110E+15 -0.43 3.162E+04 / AC5H11+CH3O2 = AC5H11O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 6.498E+17 -1.30 3.239E+04 / BC5H11+CH3O2 = BC5H11O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 2.054E+21 -2.17 3.495E+04 / CC5H11+CH3O2 = CC5H11O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.815E+20 -1.94 3.439E+04 / DC5H11+CH3O2 = DC5H11O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.295E+18 -1.30 3.239E+04 / NEOC5H11+CH3O2 = NEOC5H11O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 4.888E+18 -1.46 3.181E+04 / HOCH2O = CH2O+OH 1.643E+14 -0.10 2.189E+04 REV / 2.600E+12 0.00 -6.140E+02 / HOCH2O = HOCHO+H 1.000E+14 0.00 1.490E+04 REV / 3.077E+11 0.64 7.944E+03 / HOCHO+M = CO+H2O+M 2.300E+13 0.00 5.000E+04 REV / 1.422E+10 0.46 4.684E+04 / HOCHO+M = CO2+H2+M 1.500E+16 0.00 5.700E+04 REV / 2.399E+14 0.46 6.102E+04 / HOCHO = HCO+OH 4.593E+18 -0.46 1.083E+05 REV / 1.000E+14 0.00 0.000E+00 / CH2O+OCHO = HCO+HOCHO 5.600E+12 0.00 1.360E+04 REV / 8.584E+11 0.04 2.675E+04 / OCHO+HO2 = HOCHO+O2 3.500E+10 0.00 -3.275E+03 REV / 3.699E+12 -0.29 5.269E+04 / OCHO+H2O2 = HOCHO+HO2 2.400E+12 0.00 1.000E+04 REV / 1.793E+11 0.36 2.479E+04 / HOCHO+OH = H2O+CO2+H 2.620E+06 2.06 9.160E+02 REV / 0.000E+00 0.00 0.000E+00 / HOCHO+OH = H2O+CO+OH 1.850E+07 1.51 -9.620E+02 REV / 0.000E+00 0.00 0.000E+00 / HOCHO+H = H2+CO2+H 4.240E+06 2.10 4.868E+03 REV / 0.000E+00 0.00 0.000E+00 / HOCHO+H = H2+CO+OH 6.030E+13 -0.35 2.988E+03 REV / 0.000E+00 0.00 0.000E+00 / HOCHO+CH3 = CH4+CO+OH 3.900E-07 5.80 2.200E+03 REV / 0.000E+00 0.00 0.000E+00 / HOCHO+HO2 = H2O2+CO+OH 1.000E+12 0.00 1.192E+04 REV / 0.000E+00 0.00 0.000E+00 / HOCHO+O = CO+OH+OH 1.770E+18 -1.90 2.975E+03 REV / 0.000E+00 0.00 0.000E+00 / CH2(S)+M = CH2+M 1.000E+13 0.00 0.000E+00 REV / 7.161E+15 -0.89 1.143E+04 / CH2(S)+CH4 = CH3+CH3 4.000E+13 0.00 0.000E+00 REV / 5.429E+15 -0.89 1.565E+04 / CH2(S)+C2H6 = CH3+C2H5 1.200E+14 0.00 0.000E+00 REV / 1.041E+14 -0.33 1.982E+04 / CH2(S)+O2 = CO+OH+H 7.000E+13 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / CH2(S)+H2 = CH3+H 7.000E+13 0.00 0.000E+00 REV / 2.482E+17 -0.89 1.613E+04 / CH2(S)+H = CH+H2 3.000E+13 0.00 0.000E+00 REV / 1.509E+16 -0.89 1.442E+04 / CH2(S)+O = CO+H+H 3.000E+13 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / CH2(S)+OH = CH2O+H 3.000E+13 0.00 0.000E+00 REV / 3.194E+18 -0.89 8.786E+04 / CH2(S)+CO2 = CH2O+CO 3.000E+12 0.00 0.000E+00 REV / 2.852E+15 -0.89 6.552E+04 / CH2(S)+CH3 = C2H4+H 2.000E+13 0.00 0.000E+00 REV / 2.671E+15 -0.06 6.884E+04 / CH2(S)+CH2CO = C2H4+CO 1.600E+14 0.00 0.000E+00 REV / 4.596E+15 -0.06 1.056E+05 / IC6H14 = IC4H9+C2H5 4.681E+22 -1.76 8.741E+04 REV / 4.000E+12 0.00 -5.960E+02 / IC6H14 = IC3H7+NC3H7 4.358E+19 -0.73 8.583E+04 REV / 4.000E+12 0.00 -5.960E+02 / IC6H14 = DC5H11+CH3 7.038E+18 -0.86 8.722E+04 REV / 4.000E+12 0.00 -5.960E+02 / IC6H14 = C5H11-2+CH3 5.257E+15 0.21 8.430E+04 REV / 4.000E+12 0.00 -5.960E+02 / IC6H14 = AC6H13+H 1.475E+19 -1.00 1.032E+05 REV / 3.610E+13 0.00 0.000E+00 / IC6H14 = BC6H13+H 7.996E+20 -1.56 9.866E+04 REV / 3.610E+13 0.00 0.000E+00 / IC6H14 = CC6H13+H 2.184E+20 -1.34 1.006E+05 REV / 3.610E+13 0.00 0.000E+00 / IC6H14 = DC6H13+H 2.184E+20 -1.34 1.006E+05 REV / 3.610E+13 0.00 0.000E+00 / IC6H14 = EC6H13+H 1.475E+19 -1.00 1.032E+05 REV / 3.610E+13 0.00 0.000E+00 / IC6H14+H = AC6H13+H2 1.880E+05 2.75 6.280E+03 REV / 8.678E+03 2.75 1.056E+04 / IC6H14+H = BC6H13+H2 6.020E+05 2.40 2.583E+03 REV / 5.125E+02 2.96 1.136E+04 / IC6H14+H = CC6H13+H2 1.300E+06 2.40 4.471E+03 REV / 4.052E+03 2.74 1.127E+04 / IC6H14+H = DC6H13+H2 1.300E+06 2.40 4.471E+03 REV / 4.052E+03 2.74 1.127E+04 / IC6H14+H = EC6H13+H2 9.400E+04 2.75 6.280E+03 REV / 4.339E+03 2.75 1.056E+04 / IC6H14+O = AC6H13+OH 2.697E+07 2.03 5.136E+03 REV / 5.468E+05 2.03 7.321E+03 / IC6H14+O = BC6H13+OH 3.968E+05 2.40 1.150E+03 REV / 1.484E+02 2.96 7.837E+03 / IC6H14+O = CC6H13+OH 5.946E+05 2.44 2.846E+03 REV / 8.139E+02 2.78 7.546E+03 / IC6H14+O = DC6H13+OH 5.946E+05 2.44 2.846E+03 REV / 8.139E+02 2.78 7.546E+03 / IC6H14+O = EC6H13+OH 1.046E+06 2.42 4.766E+03 REV / 2.121E+04 2.42 6.951E+03 / IC6H14+OH = AC6H13+H2O 1.054E+10 0.97 1.590E+03 REV / 2.107E+09 0.97 2.103E+04 / IC6H14+OH = BC6H13+H2O 5.733E+10 0.51 6.300E+01 REV / 2.113E+08 1.07 2.400E+04 / IC6H14+OH = CC6H13+H2O 4.670E+07 1.61 -3.500E+01 REV / 6.302E+05 1.95 2.192E+04 / IC6H14+OH = DC6H13+H2O 4.670E+07 1.61 -3.500E+01 REV / 6.302E+05 1.95 2.192E+04 / IC6H14+OH = EC6H13+H2O 5.270E+09 0.97 1.590E+03 REV / 1.053E+09 0.97 2.103E+04 / IC6H14+CH3 = AC6H13+CH4 9.067E-01 3.65 7.154E+03 REV / 1.093E+00 3.65 1.191E+04 / IC6H14+CH3 = BC6H13+CH4 6.010E-10 6.36 8.930E+02 REV / 1.337E-11 6.92 1.015E+04 / IC6H14+CH3 = CC6H13+CH4 8.400E+04 2.13 7.574E+03 REV / 6.839E+03 2.47 1.485E+04 / IC6H14+CH3 = DC6H13+CH4 8.400E+04 2.13 7.574E+03 REV / 6.839E+03 2.47 1.485E+04 / IC6H14+CH3 = EC6H13+CH4 4.520E-01 3.65 7.154E+03 REV / 5.451E-01 3.65 1.191E+04 / IC6H14+HO2 = AC6H13+H2O2 1.680E+13 0.00 2.044E+04 REV / 4.600E+12 0.00 9.810E+03 / IC6H14+HO2 = BC6H13+H2O2 2.800E+12 0.00 1.601E+04 REV / 3.000E+12 0.00 7.400E+03 / IC6H14+HO2 = CC6H13+H2O2 5.600E+12 0.00 1.769E+04 REV / 2.690E+12 0.00 7.410E+03 / IC6H14+HO2 = DC6H13+H2O2 5.600E+12 0.00 1.769E+04 REV / 2.690E+12 0.00 7.410E+03 / IC6H14+HO2 = EC6H13+H2O2 8.400E+12 0.00 2.044E+04 REV / 9.966E+12 -0.33 8.415E+03 / IC6H14+CH3O = AC6H13+CH3OH 3.200E+11 0.00 7.000E+03 REV / 7.122E+09 0.02 9.550E+03 / IC6H14+CH3O = BC6H13+CH3OH 1.900E+10 0.00 2.800E+03 REV / 7.799E+06 0.59 9.852E+03 / IC6H14+CH3O = CC6H13+CH3OH 1.100E+11 0.00 5.000E+03 REV / 1.653E+08 0.36 1.007E+04 / IC6H14+CH3O = DC6H13+CH3OH 1.100E+11 0.00 5.000E+03 REV / 1.653E+08 0.36 1.007E+04 / IC6H14+CH3O = EC6H13+CH3OH 1.580E+11 0.00 7.000E+03 REV / 1.200E+10 0.00 9.200E+03 / IC6H14+O2 = AC6H13+HO2 4.200E+13 0.00 5.281E+04 REV / 3.522E+10 0.32 -3.970E+02 / IC6H14+O2 = BC6H13+HO2 7.000E+12 0.00 4.801E+04 REV / 1.083E+08 0.89 -6.951E+02 / IC6H14+O2 = CC6H13+HO2 1.400E+13 0.00 5.016E+04 REV / 7.927E+08 0.66 -5.320E+02 / IC6H14+O2 = DC6H13+HO2 1.400E+13 0.00 5.016E+04 REV / 7.927E+08 0.66 -5.320E+02 / IC6H14+O2 = EC6H13+HO2 2.100E+13 0.00 5.281E+04 REV / 1.761E+10 0.32 -3.970E+02 / IC6H14+C2H5 = AC6H13+C2H6 1.000E+11 0.00 1.340E+04 REV / 3.200E+11 0.00 1.230E+04 / IC6H14+C2H5 = BC6H13+C2H6 1.000E+11 0.00 7.900E+03 REV / 3.000E+11 0.00 2.100E+04 / IC6H14+C2H5 = CC6H13+C2H6 5.000E+10 0.00 1.040E+04 REV / 1.000E+11 0.00 1.290E+04 / IC6H14+C2H5 = DC6H13+C2H6 5.000E+10 0.00 1.040E+04 REV / 1.000E+11 0.00 1.290E+04 / IC6H14+C2H5 = EC6H13+C2H6 5.000E+10 0.00 1.340E+04 REV / 3.240E+11 0.00 1.230E+04 / IC6H14+C2H3 = AC6H13+C2H4 1.000E+12 0.00 1.800E+04 REV / 2.600E+12 0.00 2.540E+04 / IC6H14+C2H3 = BC6H13+C2H4 2.000E+11 0.00 1.430E+04 REV / 2.400E+12 0.00 2.300E+04 / IC6H14+C2H3 = CC6H13+C2H4 3.980E+11 0.00 1.680E+04 REV / 2.000E+12 0.00 2.420E+04 / IC6H14+C2H3 = DC6H13+C2H4 3.980E+11 0.00 1.680E+04 REV / 2.000E+12 0.00 2.420E+04 / IC6H14+C2H3 = EC6H13+C2H4 5.000E+11 0.00 1.800E+04 REV / 2.510E+12 0.00 2.540E+04 / IC6H14+CH3O2 = AC6H13+CH3O2H 1.680E+13 0.00 2.044E+04 REV / 4.150E+13 -0.51 5.395E+03 / IC6H14+CH3O2 = BC6H13+CH3O2H 2.800E+12 0.00 1.601E+04 REV / 1.276E+11 0.06 5.464E+03 / IC6H14+CH3O2 = CC6H13+CH3O2H 5.600E+12 0.00 1.769E+04 REV / 9.341E+11 -0.17 5.157E+03 / IC6H14+CH3O2 = DC6H13+CH3O2H 5.600E+12 0.00 1.769E+04 REV / 9.341E+11 -0.17 5.157E+03 / IC6H14+CH3O2 = EC6H13+CH3O2H 8.400E+12 0.00 2.044E+04 REV / 2.075E+13 -0.51 5.395E+03 / IC6H14+AC6H13 = BC6H13+IC6H14 2.500E+10 0.00 7.900E+03 REV / 1.500E+11 0.00 1.230E+04 / IC6H14+AC6H13 = CC6H13+IC6H14 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / IC6H14+AC6H13 = DC6H13+IC6H14 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / IC6H14+AC6H13 = EC6H13+IC6H14 7.500E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.230E+04 / IC6H14+BC6H13 = CC6H13+IC6H14 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / IC6H14+BC6H13 = DC6H13+IC6H14 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / IC6H14+BC6H13 = EC6H13+IC6H14 7.500E+10 0.00 1.230E+04 REV / 2.500E+10 0.00 7.900E+03 / IC6H14+CC6H13 = DC6H13+IC6H14 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / IC6H14+CC6H13 = EC6H13+IC6H14 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / IC6H14+DC6H13 = EC6H13+IC6H14 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / AC6H13O2+IC6H14 = AC6H13O2H+AC6H13 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / BC6H13O2+IC6H14 = BC6H13O2H+AC6H13 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / CC6H13O2+IC6H14 = CC6H13O2H+AC6H13 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / DC6H13O2+IC6H14 = DC6H13O2H+AC6H13 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / EC6H13O2+IC6H14 = EC6H13O2H+AC6H13 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / AC6H13O2+IC6H14 = AC6H13O2H+BC6H13 2.016E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / BC6H13O2+IC6H14 = BC6H13O2H+BC6H13 2.016E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / CC6H13O2+IC6H14 = CC6H13O2H+BC6H13 2.016E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / DC6H13O2+IC6H14 = DC6H13O2H+BC6H13 2.016E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / EC6H13O2+IC6H14 = EC6H13O2H+BC6H13 2.016E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / AC6H13O2+IC6H14 = AC6H13O2H+CC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / BC6H13O2+IC6H14 = BC6H13O2H+CC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / CC6H13O2+IC6H14 = CC6H13O2H+CC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / DC6H13O2+IC6H14 = DC6H13O2H+CC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / EC6H13O2+IC6H14 = EC6H13O2H+CC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / AC6H13O2+IC6H14 = AC6H13O2H+DC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / BC6H13O2+IC6H14 = BC6H13O2H+DC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / CC6H13O2+IC6H14 = CC6H13O2H+DC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / DC6H13O2+IC6H14 = DC6H13O2H+DC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / EC6H13O2+IC6H14 = EC6H13O2H+DC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / AC6H13O2+IC6H14 = AC6H13O2H+EC6H13 6.048E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / BC6H13O2+IC6H14 = BC6H13O2H+EC6H13 6.048E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / CC6H13O2+IC6H14 = CC6H13O2H+EC6H13 6.048E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / DC6H13O2+IC6H14 = DC6H13O2H+EC6H13 6.048E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / EC6H13O2+IC6H14 = EC6H13O2H+EC6H13 6.048E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / AC6H13 = NC3H7+C3H6 2.637E+18 -1.31 3.125E+04 REV / 1.500E+11 0.00 9.200E+03 / AC6H13 = C5H10-1+CH3 7.937E+14 -0.44 3.052E+04 REV / 1.500E+11 0.00 9.200E+03 / AC6H13 = AC6H12+H 4.616E+16 -0.93 3.710E+04 REV / 1.000E+13 0.00 3.200E+03 / BC6H13 = IC4H8+C2H5 2.457E+17 -1.19 3.035E+04 REV / 1.500E+11 0.00 7.200E+03 / BC6H13 = AC6H12+H 8.513E+14 -0.36 3.960E+04 REV / 1.000E+13 0.00 1.200E+03 / BC6H13 = BC6H12+H 1.743E+15 -0.53 3.843E+04 REV / 1.000E+13 0.00 2.900E+03 / CC6H13 = C5H10-2+CH3 1.541E+15 -0.70 3.018E+04 REV / 1.500E+11 0.00 9.200E+03 / CC6H13 = BC6H12+H 6.381E+15 -0.76 3.675E+04 REV / 1.000E+13 0.00 3.200E+03 / IC6H11+HO2 = CC6H11O-B+OH 1.000E+13 0.00 0.000E+00 REV / 2.674E+15 -1.00 1.707E+04 / DC6H13 = IC3H7+C3H6 7.204E+13 -0.03 2.790E+04 REV / 1.500E+11 0.00 7.800E+03 / DC6H13 = CC6H12+H 2.982E+15 -0.73 3.787E+04 REV / 1.000E+13 0.00 2.900E+03 / DC6H13 = DC6H12+H 1.398E+15 -0.55 3.877E+04 REV / 1.000E+13 0.00 1.200E+03 / EC6H13 = IC4H9+C2H4 1.616E+18 -1.56 2.980E+04 REV / 1.700E+11 0.00 7.200E+03 / EC6H13 = DC6H12+H 2.071E+16 -0.89 3.795E+04 REV / 1.000E+13 0.00 2.900E+03 / AC6H13+O2 = AC6H12+HO2 1.500E-19 0.00 2.000E+03 REV / 2.000E-19 0.00 1.750E+04 / BC6H13+O2 = AC6H12+HO2 9.000E-19 0.00 5.020E+03 REV / 2.000E-19 0.00 1.750E+04 / BC6H13+O2 = BC6H12+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / CC6H13+O2 = BC6H12+HO2 1.500E-19 0.00 2.000E+03 REV / 2.000E-19 0.00 1.750E+04 / CC6H13+O2 = CC6H12+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / DC6H13+O2 = CC6H12+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / DC6H13+O2 = DC6H12+HO2 4.500E-19 0.00 5.020E+03 REV / 2.000E-19 0.00 1.750E+04 / EC6H13+O2 = DC6H12+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / AC6H13 = DC6H13 2.000E+11 0.00 1.810E+04 REV / 6.000E+11 0.00 2.110E+04 / AC6H13 = EC6H13 3.000E+11 0.00 1.410E+04 REV / 6.000E+11 0.00 1.410E+04 / BC6H13 = EC6H13 3.000E+11 0.00 2.110E+04 REV / 1.000E+11 0.00 1.610E+04 / AC6H12+OH = IC6H11+H2O 3.000E+13 0.00 1.230E+03 REV / 9.392E+14 0.08 4.009E+04 / BC6H12+OH = IC6H11+H2O 3.000E+13 0.00 1.230E+03 REV / 1.923E+15 -0.09 3.722E+04 / CC6H12+OH = IC6H11+H2O 3.000E+13 0.00 1.230E+03 REV / 8.986E+14 -0.06 3.864E+04 / DC6H12+OH = IC6H11+H2O 3.000E+13 0.00 1.230E+03 REV / 4.214E+14 0.11 4.124E+04 / AC6H12+H = IC6H11+H2 3.700E+13 0.00 3.900E+03 REV / 2.675E+14 0.08 2.760E+04 / BC6H12+H = IC6H11+H2 3.700E+13 0.00 3.900E+03 REV / 5.478E+14 -0.09 2.473E+04 / CC6H12+H = IC6H11+H2 3.700E+13 0.00 3.900E+03 REV / 2.560E+14 -0.06 2.615E+04 / DC6H12+H = IC6H11+H2 3.700E+13 0.00 3.900E+03 REV / 1.200E+14 0.11 2.875E+04 / AC6H12+CH3 = IC6H11+CH4 1.000E+12 0.00 7.300E+03 REV / 1.889E+14 0.08 3.148E+04 / BC6H12+CH3 = IC6H11+CH4 1.000E+12 0.00 7.300E+03 REV / 3.868E+14 -0.09 2.861E+04 / CC6H12+CH3 = IC6H11+CH4 1.000E+12 0.00 7.300E+03 REV / 1.807E+14 -0.06 3.003E+04 / DC6H12+CH3 = IC6H11+CH4 1.000E+12 0.00 7.300E+03 REV / 8.476E+13 0.11 3.263E+04 / AC6H12+O = IC6H11+OH 2.204E+11 -0.08 8.295E+03 REV / 7.000E+11 0.00 2.990E+04 / BC6H12+O = IC6H11+OH 1.076E+11 0.09 1.117E+04 REV / 7.000E+11 0.00 2.990E+04 / CC6H12+O = IC6H11+OH 2.304E+11 0.06 9.745E+03 REV / 7.000E+11 0.00 2.990E+04 / DC6H12+O = IC6H11+OH 4.912E+11 -0.11 7.145E+03 REV / 7.000E+11 0.00 2.990E+04 / IC6H11 = C3H6+C3H5-A 2.500E+13 0.00 4.500E+04 REV / 0.000E+00 0.00 0.000E+00 / AC6H12+OH = C5H11-2+CH2O 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / BC6H12+OH = CH3COCH3+NC3H7 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / BC6H12+OH = C2H5CHO+IC3H7 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / CC6H12+OH = IC4H9+CH3CHO 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / DC6H12+OH = DC5H11+CH2O 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / AC6H12+O = C5H11-2+HCO 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / CC6H12+O = IC4H9+CH3CO 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / DC6H12+O = DC5H11+HCO 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / AC6H12 = IC4H7+C2H5 1.000E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / BC6H12 = CH3+IC5H9 1.000E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / CC6H12 = CH3+C5H9 1.000E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / DC6H12 = IC3H7+C3H5-A 1.000E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / AC6H13O2 = AC6H13+O2 1.607E+20 -1.64 3.571E+04 REV / 4.520E+12 0.00 0.000E+00 / BC6H13O2 = BC6H13+O2 3.300E+24 -2.55 3.730E+04 REV / 1.410E+13 0.00 0.000E+00 / CC6H13O2 = CC6H13+O2 7.401E+22 -2.28 3.799E+04 REV / 7.540E+12 0.00 0.000E+00 / DC6H13O2 = DC6H13+O2 7.401E+22 -2.28 3.799E+04 REV / 7.540E+12 0.00 0.000E+00 / EC6H13O2 = EC6H13+O2 3.202E+20 -1.64 3.571E+04 REV / 4.520E+12 0.00 0.000E+00 / AC6H13+AC6H13O2 = AC6H13O+AC6H13O 7.000E+12 0.00 -1.000E+03 REV / 3.808E+13 -0.18 2.979E+04 / AC6H13+BC6H13O2 = AC6H13O+BC6H13O 7.000E+12 0.00 -1.000E+03 REV / 2.297E+13 -0.17 3.059E+04 / AC6H13+CC6H13O2 = AC6H13O+CC6H13O 7.000E+12 0.00 -1.000E+03 REV / 3.582E+13 -0.17 2.950E+04 / AC6H13+DC6H13O2 = AC6H13O+DC6H13O 7.000E+12 0.00 -1.000E+03 REV / 3.582E+13 -0.17 2.950E+04 / AC6H13+EC6H13O2 = AC6H13O+EC6H13O 7.000E+12 0.00 -1.000E+03 REV / 3.809E+13 -0.18 2.979E+04 / BC6H13+AC6H13O2 = BC6H13O+AC6H13O 7.000E+12 0.00 -1.000E+03 REV / 1.512E+17 -1.08 3.218E+04 / BC6H13+BC6H13O2 = BC6H13O+BC6H13O 7.000E+12 0.00 -1.000E+03 REV / 9.122E+16 -1.07 3.298E+04 / BC6H13+CC6H13O2 = BC6H13O+CC6H13O 7.000E+12 0.00 -1.000E+03 REV / 1.422E+17 -1.07 3.189E+04 / BC6H13+DC6H13O2 = BC6H13O+DC6H13O 7.000E+12 0.00 -1.000E+03 REV / 1.422E+17 -1.07 3.189E+04 / BC6H13+EC6H13O2 = BC6H13O+EC6H13O 7.000E+12 0.00 -1.000E+03 REV / 1.512E+17 -1.08 3.218E+04 / CC6H13+AC6H13O2 = CC6H13O+AC6H13O 7.000E+12 0.00 -1.000E+03 REV / 9.888E+15 -0.81 3.178E+04 / CC6H13+BC6H13O2 = CC6H13O+BC6H13O 7.000E+12 0.00 -1.000E+03 REV / 5.965E+15 -0.80 3.258E+04 / CC6H13+CC6H13O2 = CC6H13O+CC6H13O 7.000E+12 0.00 -1.000E+03 REV / 9.301E+15 -0.80 3.149E+04 / CC6H13+DC6H13O2 = CC6H13O+DC6H13O 7.000E+12 0.00 -1.000E+03 REV / 9.301E+15 -0.80 3.149E+04 / CC6H13+EC6H13O2 = CC6H13O+EC6H13O 7.000E+12 0.00 -1.000E+03 REV / 9.889E+15 -0.81 3.178E+04 / DC6H13+AC6H13O2 = DC6H13O+AC6H13O 7.000E+12 0.00 -1.000E+03 REV / 9.888E+15 -0.81 3.178E+04 / DC6H13+BC6H13O2 = DC6H13O+BC6H13O 7.000E+12 0.00 -1.000E+03 REV / 5.965E+15 -0.80 3.258E+04 / DC6H13+CC6H13O2 = DC6H13O+CC6H13O 7.000E+12 0.00 -1.000E+03 REV / 9.301E+15 -0.80 3.149E+04 / DC6H13+DC6H13O2 = DC6H13O+DC6H13O 7.000E+12 0.00 -1.000E+03 REV / 9.301E+15 -0.80 3.149E+04 / DC6H13+EC6H13O2 = DC6H13O+EC6H13O 7.000E+12 0.00 -1.000E+03 REV / 9.889E+15 -0.81 3.178E+04 / EC6H13+AC6H13O2 = EC6H13O+AC6H13O 7.000E+12 0.00 -1.000E+03 REV / 7.589E+13 -0.18 2.979E+04 / EC6H13+BC6H13O2 = EC6H13O+BC6H13O 7.000E+12 0.00 -1.000E+03 REV / 4.578E+13 -0.17 3.059E+04 / EC6H13+CC6H13O2 = EC6H13O+CC6H13O 7.000E+12 0.00 -1.000E+03 REV / 7.138E+13 -0.17 2.950E+04 / EC6H13+DC6H13O2 = EC6H13O+DC6H13O 7.000E+12 0.00 -1.000E+03 REV / 7.138E+13 -0.17 2.950E+04 / EC6H13+EC6H13O2 = EC6H13O+EC6H13O 7.000E+12 0.00 -1.000E+03 REV / 7.590E+13 -0.18 2.979E+04 / AC6H13O2 = AC6H12OOH-A 3.750E+10 0.00 2.440E+04 REV / 2.188E+11 -0.57 9.010E+03 / AC6H13O2 = AC6H12OOH-B 1.000E+11 0.00 2.410E+04 REV / 3.328E+09 0.01 1.301E+04 / AC6H13O2 = AC6H12OOH-C 2.500E+10 0.00 2.085E+04 REV / 4.227E+09 -0.17 7.910E+03 / AC6H13O2 = AC6H12OOH-D 3.125E+09 0.00 1.905E+04 REV / 5.283E+08 -0.17 6.110E+03 / AC6H13O2 = AC6H12OOH-E 5.860E+08 0.00 2.555E+04 REV / 3.419E+09 -0.57 1.016E+04 / BC6H13O2 = BC6H12OOH-A 6.000E+11 0.00 2.940E+04 REV / 1.337E+12 -0.50 1.393E+04 / BC6H13O2 = BC6H12OOH-C 2.000E+11 0.00 2.685E+04 REV / 1.912E+10 -0.15 1.389E+04 / BC6H13O2 = BC6H12OOH-D 2.500E+10 0.00 2.085E+04 REV / 2.390E+09 -0.15 7.890E+03 / BC6H13O2 = BC6H12OOH-E 4.688E+09 0.00 2.235E+04 REV / 1.045E+10 -0.50 6.880E+03 / CC6H13O2 = CC6H12OOH-A 7.500E+10 0.00 2.440E+04 REV / 3.455E+11 -0.59 9.040E+03 / CC6H13O2 = CC6H12OOH-B 1.000E+11 0.00 2.410E+04 REV / 1.064E+10 -0.06 1.305E+04 / CC6H13O2 = CC6H12OOH-D 2.000E+11 0.00 2.685E+04 REV / 2.829E+10 -0.14 1.390E+04 / CC6H13O2 = CC6H12OOH-E 3.750E+10 0.00 2.440E+04 REV / 2.597E+11 -0.59 9.040E+03 / DC6H13O2 = DC6H12OOH-A 9.376E+09 0.00 2.235E+04 REV / 4.319E+10 -0.59 6.990E+03 / DC6H13O2 = DC6H12OOH-B 1.250E+10 0.00 1.910E+04 REV / 1.330E+09 -0.06 8.050E+03 / DC6H13O2 = DC6H12OOH-C 2.000E+11 0.00 2.685E+04 REV / 2.829E+10 -0.14 1.390E+04 / DC6H13O2 = DC6H12OOH-E 3.000E+11 0.00 2.940E+04 REV / 2.077E+12 -0.59 1.404E+04 / EC6H13O2 = EC6H12OOH-A 1.172E+09 0.00 2.555E+04 REV / 4.549E+09 -0.57 1.016E+04 / EC6H13O2 = EC6H12OOH-B 1.563E+09 0.00 1.705E+04 REV / 3.121E+08 0.01 5.960E+03 / EC6H13O2 = EC6H12OOH-C 2.500E+10 0.00 2.085E+04 REV / 1.266E+10 -0.17 7.910E+03 / EC6H13O2 = EC6H12OOH-D 2.000E+11 0.00 2.685E+04 REV / 1.013E+11 -0.17 1.391E+04 / AC6H13O2+HO2 = AC6H13O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.094E+13 -0.83 3.447E+04 / BC6H13O2+HO2 = BC6H13O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 4.656E+13 -0.82 3.446E+04 / CC6H13O2+HO2 = CC6H13O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.882E+13 -0.85 3.450E+04 / DC6H13O2+HO2 = DC6H13O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.882E+13 -0.85 3.450E+04 / EC6H13O2+HO2 = EC6H13O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.094E+13 -0.83 3.447E+04 / AC6H13O2+H2O2 = AC6H13O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / BC6H13O2+H2O2 = BC6H13O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / CC6H13O2+H2O2 = CC6H13O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / DC6H13O2+H2O2 = DC6H13O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / EC6H13O2+H2O2 = EC6H13O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / AC6H13O2+CH3O2 = AC6H13O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC6H13O2+CH3O2 = BC6H13O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / CC6H13O2+CH3O2 = CC6H13O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / DC6H13O2+CH3O2 = DC6H13O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / EC6H13O2+CH3O2 = EC6H13O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC6H13O2+AC6H13O2 = O2+AC6H13O+AC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC6H13O2+BC6H13O2 = O2+AC6H13O+BC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC6H13O2+CC6H13O2 = O2+AC6H13O+CC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC6H13O2+DC6H13O2 = O2+AC6H13O+DC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC6H13O2+EC6H13O2 = O2+AC6H13O+EC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC6H13O2+BC6H13O2 = O2+BC6H13O+BC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC6H13O2+CC6H13O2 = O2+BC6H13O+CC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC6H13O2+DC6H13O2 = O2+BC6H13O+DC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC6H13O2+EC6H13O2 = O2+BC6H13O+EC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / CC6H13O2+CC6H13O2 = O2+CC6H13O+CC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / CC6H13O2+DC6H13O2 = O2+CC6H13O+DC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / CC6H13O2+EC6H13O2 = O2+CC6H13O+EC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / DC6H13O2+DC6H13O2 = O2+DC6H13O+DC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / DC6H13O2+EC6H13O2 = O2+DC6H13O+EC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / EC6H13O2+EC6H13O2 = O2+EC6H13O+EC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC6H13O2H = AC6H13O+OH 1.500E+16 0.00 4.250E+04 REV / 1.504E+08 1.74 -3.045E+03 / BC6H13O2H = BC6H13O+OH 7.500E+15 0.00 4.154E+04 REV / 4.965E+07 1.73 -3.195E+03 / CC6H13O2H = CC6H13O+OH 9.450E+15 0.00 4.160E+04 REV / 7.721E+07 1.76 -4.265E+03 / DC6H13O2H = DC6H13O+OH 9.450E+15 0.00 4.160E+04 REV / 7.721E+07 1.76 -4.265E+03 / EC6H13O2H = EC6H13O+OH 1.500E+16 0.00 4.250E+04 REV / 1.505E+08 1.74 -3.045E+03 / AC6H13O = CH2O+C5H11-2 1.099E+14 -0.21 1.799E+04 REV / 1.000E+11 0.00 1.190E+04 / BC6H13O = NC3H7+CH3COCH3 3.278E+18 -1.28 1.666E+04 REV / 1.000E+11 0.00 1.190E+04 / CC6H13O = C2H5CHO+IC3H7 1.163E+19 -1.46 1.853E+04 REV / 1.000E+11 0.00 1.190E+04 / DC6H13O = CH3CHO+IC4H9 2.055E+22 -2.58 2.084E+04 REV / 1.000E+11 0.00 1.190E+04 / EC6H13O = CH2O+DC5H11 2.932E+17 -1.28 2.091E+04 REV / 1.000E+11 0.00 1.190E+04 / AC6H12OOH-B = A-BC6H12O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / AC6H12OOH-A = A-AC6H12O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / AC6H12OOH-C = A-CC6H12O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / AC6H12OOH-D = A-DC6H12O+OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / AC6H12OOH-E = A-EC6H12O+OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / BC6H12OOH-A = A-BC6H12O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / BC6H12OOH-C = B-CC6H12O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / BC6H12OOH-D = B-DC6H12O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / BC6H12OOH-E = B-EC6H12O+OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / CC6H12OOH-B = B-CC6H12O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / CC6H12OOH-D = C-DC6H12O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / CC6H12OOH-A = A-CC6H12O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / CC6H12OOH-E = C-EC6H12O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / DC6H12OOH-C = C-DC6H12O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / DC6H12OOH-E = D-EC6H12O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / DC6H12OOH-B = B-DC6H12O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / DC6H12OOH-A = A-DC6H12O+OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / EC6H12OOH-D = D-EC6H12O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / EC6H12OOH-C = C-EC6H12O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / EC6H12OOH-B = B-EC6H12O+OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / EC6H12OOH-A = A-EC6H12O+OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / AC6H12OOH-B = AC6H12+HO2 4.694E+18 -1.89 2.061E+04 REV / 2.944E+11 0.00 1.205E+04 / BC6H12OOH-A = AC6H12+HO2 3.815E+22 -2.73 2.232E+04 REV / 2.944E+11 0.00 1.205E+04 / BC6H12OOH-C = BC6H12+HO2 1.974E+21 -2.56 2.000E+04 REV / 1.734E+11 0.00 1.009E+04 / CC6H12OOH-B = BC6H12+HO2 3.372E+20 -2.43 2.061E+04 REV / 1.734E+11 0.00 1.009E+04 / CC6H12OOH-D = CC6H12+HO2 3.171E+20 -2.48 2.159E+04 REV / 2.624E+11 0.00 1.154E+04 / DC6H12OOH-C = CC6H12+HO2 3.171E+20 -2.48 2.159E+04 REV / 2.624E+11 0.00 1.154E+04 / DC6H12OOH-E = DC6H12+HO2 1.265E+22 -2.75 2.369E+04 REV / 4.560E+11 0.00 1.346E+04 / EC6H12OOH-D = DC6H12+HO2 9.890E+19 -2.03 2.132E+04 REV / 4.560E+11 0.00 1.346E+04 / AC6H12OOH-A = OH+CH2O+C5H10-1 4.295E+15 -0.58 2.939E+04 REV / 0.000E+00 0.00 0.000E+00 / AC6H12OOH-C = OH+CH2O+C5H10-2 5.329E+14 -0.45 2.922E+04 REV / 0.000E+00 0.00 0.000E+00 / AC6H12OOH-D = HO2+C3H6+C3H6 3.236E+17 -1.41 2.748E+04 REV / 0.000E+00 0.00 0.000E+00 / BC6H12OOH-D = OH+CH3COCH3+C3H6 4.444E+19 -1.88 2.685E+04 REV / 0.000E+00 0.00 0.000E+00 / CC6H12OOH-A = OH+C2H5CHO+C3H6 1.014E+20 -1.93 2.880E+04 REV / 0.000E+00 0.00 0.000E+00 / CC6H12OOH-E = OH+IC3H7CHO+C2H4 1.522E+18 -1.52 2.756E+04 REV / 0.000E+00 0.00 0.000E+00 / DC6H12OOH-B = OH+CH3CHO+IC4H8 2.623E+16 -0.78 2.716E+04 REV / 0.000E+00 0.00 0.000E+00 / AC6H12OOH-AO2 = AC6H12OOH-A+O2 2.635E+20 -1.58 3.564E+04 REV / 4.520E+12 0.00 0.000E+00 / AC6H12OOH-BO2 = AC6H12OOH-B+O2 7.484E+24 -2.47 3.741E+04 REV / 1.410E+13 0.00 0.000E+00 / AC6H12OOH-CO2 = AC6H12OOH-C+O2 5.214E+22 -2.23 3.794E+04 REV / 7.540E+12 0.00 0.000E+00 / AC6H12OOH-DO2 = AC6H12OOH-D+O2 5.214E+22 -2.23 3.794E+04 REV / 7.540E+12 0.00 0.000E+00 / AC6H12OOH-EO2 = AC6H12OOH-E+O2 1.322E+20 -1.58 3.564E+04 REV / 4.520E+12 0.00 0.000E+00 / BC6H12OOH-AO2 = BC6H12OOH-A+O2 2.951E+20 -1.63 3.570E+04 REV / 4.520E+12 0.00 0.000E+00 / BC6H12OOH-CO2 = BC6H12OOH-C+O2 1.122E+23 -2.29 3.794E+04 REV / 7.540E+12 0.00 0.000E+00 / BC6H12OOH-DO2 = BC6H12OOH-D+O2 1.122E+23 -2.29 3.794E+04 REV / 7.540E+12 0.00 0.000E+00 / BC6H12OOH-EO2 = BC6H12OOH-E+O2 2.951E+20 -1.63 3.570E+04 REV / 4.520E+12 0.00 0.000E+00 / CC6H12OOH-AO2 = CC6H12OOH-A+O2 6.156E+19 -1.51 3.557E+04 REV / 4.520E+12 0.00 0.000E+00 / CC6H12OOH-DO2 = CC6H12OOH-D+O2 4.598E+22 -2.21 3.791E+04 REV / 7.540E+12 0.00 0.000E+00 / CC6H12OOH-EO2 = CC6H12OOH-E+O2 8.160E+19 -1.51 3.557E+04 REV / 4.520E+12 0.00 0.000E+00 / CC6H12OOH-BO2 = CC6H12OOH-B+O2 1.229E+24 -2.42 3.733E+04 REV / 1.410E+13 0.00 0.000E+00 / DC6H12OOH-AO2 = DC6H12OOH-A+O2 6.156E+19 -1.51 3.557E+04 REV / 4.520E+12 0.00 0.000E+00 / DC6H12OOH-CO2 = DC6H12OOH-C+O2 4.598E+22 -2.21 3.791E+04 REV / 7.540E+12 0.00 0.000E+00 / DC6H12OOH-EO2 = DC6H12OOH-E+O2 8.160E+19 -1.51 3.557E+04 REV / 4.520E+12 0.00 0.000E+00 / DC6H12OOH-BO2 = DC6H12OOH-B+O2 1.229E+24 -2.42 3.733E+04 REV / 1.410E+13 0.00 0.000E+00 / EC6H12OOH-AO2 = EC6H12OOH-A+O2 9.977E+19 -1.58 3.564E+04 REV / 4.520E+12 0.00 0.000E+00 / EC6H12OOH-CO2 = EC6H12OOH-C+O2 1.741E+22 -2.23 3.794E+04 REV / 7.540E+12 0.00 0.000E+00 / EC6H12OOH-DO2 = EC6H12OOH-D+O2 1.741E+22 -2.23 3.794E+04 REV / 7.540E+12 0.00 0.000E+00 / EC6H12OOH-BO2 = EC6H12OOH-B+O2 6.261E+23 -2.47 3.741E+04 REV / 1.410E+13 0.00 0.000E+00 / AC6H12OOH-AO2 = IC6KETAA+OH 2.500E+10 0.00 2.140E+04 REV / 5.103E+03 1.26 4.440E+04 / AC6H12OOH-BO2 = IC6KETAB+OH 2.000E+11 0.00 2.640E+04 REV / 2.086E+05 1.07 4.869E+04 / AC6H12OOH-CO2 = IC6KETAC+OH 2.500E+10 0.00 2.140E+04 REV / 1.524E+04 1.20 4.444E+04 / AC6H12OOH-DO2 = IC6KETAD+OH 3.125E+09 0.00 1.935E+04 REV / 1.904E+03 1.20 4.239E+04 / AC6H12OOH-EO2 = IC6KETAE+OH 3.906E+08 0.00 2.255E+04 REV / 1.589E+02 1.26 4.555E+04 / CC6H12OOH-AO2 = IC6KETCA+OH 1.250E+10 0.00 1.785E+04 REV / 5.158E+02 1.63 4.385E+04 / CC6H12OOH-BO2 = IC6KETCB+OH 1.000E+11 0.00 2.385E+04 REV / 1.635E+04 1.48 4.916E+04 / CC6H12OOH-DO2 = IC6KETCD+OH 1.000E+11 0.00 2.385E+04 REV / 1.227E+04 1.46 4.906E+04 / CC6H12OOH-EO2 = IC6KETCE+OH 1.250E+10 0.00 1.785E+04 REV / 5.158E+02 1.63 4.385E+04 / DC6H12OOH-AO2 = IC6KETDA+OH 1.563E+09 0.00 1.605E+04 REV / 5.110E+01 1.68 4.207E+04 / DC6H12OOH-BO2 = IC6KETDB+OH 1.250E+10 0.00 1.785E+04 REV / 2.967E+02 1.74 4.388E+04 / DC6H12OOH-CO2 = IC6KETDC+OH 1.000E+11 0.00 2.385E+04 REV / 7.983E+03 1.54 4.905E+04 / DC6H12OOH-EO2 = IC6KETDE+OH 1.000E+11 0.00 2.385E+04 REV / 1.499E+03 1.67 5.000E+04 / EC6H12OOH-AO2 = IC6KETEA+OH 3.906E+08 0.00 2.255E+04 REV / 9.445E+01 1.32 4.584E+04 / EC6H12OOH-BO2 = IC6KETEB+OH 3.125E+09 0.00 1.935E+04 REV / 7.783E+02 1.32 4.265E+04 / EC6H12OOH-CO2 = IC6KETEC+OH 2.500E+10 0.00 2.140E+04 REV / 5.727E+03 1.33 4.469E+04 / EC6H12OOH-DO2 = IC6KETED+OH 2.000E+11 0.00 2.640E+04 REV / 1.483E+02 0.63 4.846E+04 / IC6KETAA = CH2O+C4H8CHO-4+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETAB = NC3H7COCH3+HCO+OH 9.500E+15 0.00 4.154E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETAC = C2H5CHO+CH3CHCHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETAD = CH3CHO+IC3H6CHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETAE = CH2O+C4H8CHO4-2+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETCA = CH2O+C2H5COC2H4S+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETCB = CH3COCH3+C2H5CO+OH 9.500E+15 0.00 4.154E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETCD = CH3CHO+IC3H7CO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETCE = CH2O+IC3H7COCH2+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETDA = CH2O+C3H6COCH3-2+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETDB = CH3COCH3+CH3COCH2+OH 9.500E+15 0.00 4.154E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETDC = IC3H7CHO+CH3CO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETDE = CH2O+IC4H9CO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETEA = CH2O+C4H8CHO-2+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETEB = CH3COCH3+CH2CH2CHO+OH 9.500E+15 0.00 4.154E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETEC = IC3H7CHO+CH2CHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6KETED = IC4H9CHO+HCO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / A-AC6H12O+OH = C5H10CHO1-2+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-BC6H12O+OH = C5H10CHO2-2+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-CC6H12O+OH = C5H10CHO3-2+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-DC6H12O+OH = C5H10CHO4-2+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-EC6H12O+OH = C5H10CHO5-2+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / B-CC6H12O+OH = IC3H5CHO+C2H5+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / B-DC6H12O+OH = IC4H7+CH3CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / B-EC6H12O+OH = IC5H9+CH2O+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C-DC6H12O+OH = IC3H7COC2H4S+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C-EC6H12O+OH = CC5H10CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / D-EC6H12O+OH = DC5H10CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-AC6H12O+OH = C5H9+CH2O+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-BC6H12O+OH = C5H9+CH2O+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-CC6H12O+OH = IC3H6COC2H5+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-DC6H12O+OH = IC3H6CH2COCH3+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-EC6H12O+OH = AC5H10CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / B-CC6H12O+OH = TC3H6COC2H5+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / B-DC6H12O+OH = TC3H6CH2COCH3+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / B-EC6H12O+OH = BC5H10CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C-DC6H12O+OH = IC3H7CHCOCH3+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C-EC6H12O+OH = IC3H7COC2H4P+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / D-EC6H12O+OH = IC4H9COCH2+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / A-AC6H12O+HO2 = C5H10CHO1-2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-BC6H12O+HO2 = C5H10CHO2-2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-CC6H12O+HO2 = C5H10CHO3-2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-DC6H12O+HO2 = C5H10CHO4-2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-EC6H12O+HO2 = C5H10CHO5-2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / B-CC6H12O+HO2 = IC3H5CHO+C2H5+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / B-DC6H12O+HO2 = IC4H7+CH3CHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / B-EC6H12O+HO2 = IC5H9+CH2O+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C-DC6H12O+HO2 = IC3H7COC2H4S+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C-EC6H12O+HO2 = CC5H10CHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / D-EC6H12O+HO2 = DC5H10CHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-AC6H12O+HO2 = C5H9+CH2O+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-BC6H12O+HO2 = C5H9+CH2O+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-CC6H12O+HO2 = IC3H6COC2H5+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-DC6H12O+HO2 = IC3H6CH2COCH3+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / A-EC6H12O+HO2 = AC5H10CHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / B-CC6H12O+HO2 = TC3H6COC2H5+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / B-DC6H12O+HO2 = TC3H6CH2COCH3+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / B-EC6H12O+HO2 = BC5H10CHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C-DC6H12O+HO2 = IC3H7CHCOCH3+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C-EC6H12O+HO2 = IC3H7COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / D-EC6H12O+HO2 = IC4H9COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC6H14+O2CHO = AC6H13+HO2CHO 1.680E+13 0.00 2.044E+04 REV / 1.138E+03 2.30 3.065E+03 / IC6H14+O2CHO = BC6H13+HO2CHO 2.800E+12 0.00 1.601E+04 REV / 3.497E+00 2.87 3.145E+03 / IC6H14+O2CHO = CC6H13+HO2CHO 5.600E+12 0.00 1.769E+04 REV / 2.560E+01 2.64 2.831E+03 / IC6H14+O2CHO = DC6H13+HO2CHO 5.600E+12 0.00 1.769E+04 REV / 2.560E+01 2.64 2.831E+03 / IC6H14+O2CHO = EC6H13+HO2CHO 8.400E+12 0.00 2.044E+04 REV / 5.688E+02 2.30 3.065E+03 / NC4H9CHO-2+OH = NC4H9CO-2+H2O 3.370E+12 0.00 -6.160E+02 REV / 2.193E+12 0.00 3.093E+04 / NC4H9CHO-2+OH = C4H8CHO1-2+H2O 3.120E+06 2.00 -2.980E+02 REV / 6.470E+05 1.99 1.914E+04 / NC4H9CHO-2+OH = C4H8CHO2-2+H2O 1.684E+12 0.00 -7.810E+02 REV / 1.214E+13 -0.18 2.993E+04 / NC4H9CHO-2+OH = C4H8CHO3-2+H2O 2.900E+09 1.00 2.580E+02 REV / 2.871E+07 1.38 2.215E+04 / NC4H9CHO-2+OH = C4H8CHO4-2+H2O 3.160E+07 1.80 9.340E+02 REV / 6.553E+06 1.79 2.037E+04 / NC4H9CHO-2+HO2 = NC4H9CO-2+H2O2 1.000E+12 0.00 1.192E+04 REV / 3.863E+12 -0.33 1.200E+04 / NC4H9CHO-2+HO2 = C4H8CHO1-2+H2O2 2.380E+04 2.55 1.649E+04 REV / 2.930E+04 2.21 4.471E+03 / NC4H9CHO-2+HO2 = C4H8CHO2-2+H2O2 8.000E+10 0.00 1.192E+04 REV / 3.424E+12 -0.51 1.117E+04 / NC4H9CHO-2+HO2 = C4H8CHO3-2+H2O2 9.640E+03 2.60 1.391E+04 REV / 5.665E+02 2.65 4.342E+03 / NC4H9CHO-2+HO2 = C4H8CHO4-2+H2O2 2.380E+04 2.55 1.649E+04 REV / 2.930E+04 2.21 4.471E+03 / NC4H9CHO-2+CH3O2 = NC4H9CO-2+CH3O2H 1.000E+12 0.00 1.192E+04 REV / 1.588E+13 -0.51 1.128E+04 / NC4H9CHO-2+CH3O2 = C4H8CHO1-2+CH3O2H 2.380E+04 2.55 1.649E+04 REV / 1.204E+05 2.04 3.751E+03 / NC4H9CHO-2+CH3O2 = C4H8CHO2-2+CH3O2H 8.000E+10 0.00 1.192E+04 REV / 1.407E+13 -0.69 1.045E+04 / NC4H9CHO-2+CH3O2 = C4H8CHO3-2+CH3O2H 9.640E+03 2.60 1.391E+04 REV / 2.328E+03 2.47 3.622E+03 / NC4H9CHO-2+CH3O2 = C4H8CHO4-2+CH3O2H 2.380E+04 2.55 1.649E+04 REV / 1.204E+05 2.04 3.751E+03 / NC4H9CO-2 = SC4H9+CO 1.527E+13 -0.09 1.065E+04 REV / 1.500E+11 0.00 4.810E+03 / C4H8CHO1-2 = C2H3CHO+C2H5 8.937E+16 -1.18 2.620E+04 REV / 1.000E+11 0.00 1.060E+04 / C4H8CHO1-2 = C4H8-1+HCO 4.045E+16 -1.20 2.667E+04 REV / 1.000E+11 0.00 1.060E+04 / C4H8CHO2-2 = IC3H5CHO+CH3 2.027E+14 -0.45 3.455E+04 REV / 1.230E+11 0.00 1.060E+04 / C4H8CHO3-2 = C4H8-2+HCO 2.801E+15 -1.06 2.157E+04 REV / 1.000E+11 0.00 6.000E+03 / C4H8CHO4-2 = CH3CHCHO+C2H4 4.387E+16 -1.47 2.649E+04 REV / 8.000E+10 0.00 1.130E+04 / IC4H9CHO+OH = IC4H9CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.623E+10 0.76 3.119E+04 / IC4H9CHO+OH = TC3H6CH2CHO+H2O 2.700E+09 1.00 -1.490E+02 REV / 1.043E+07 1.56 2.379E+04 / IC4H9CHO+OH = IC3H6CH2CHO+H2O 3.160E+07 1.80 9.340E+02 REV / 5.174E+06 1.82 2.033E+04 / IC4H9CHO+OH = IC3H7CHCHO+H2O 2.900E+09 1.00 2.580E+02 REV / 7.228E+10 0.74 2.915E+04 / IC4H9CHO+HO2 = IC4H9CO+H2O2 3.000E+12 0.00 1.192E+04 REV / 1.075E+13 -0.32 1.199E+04 / IC4H9CHO+HO2 = TC3H6CH2CHO+H2O2 3.610E+03 2.55 1.053E+04 REV / 8.276E+01 2.78 3.004E+03 / IC4H9CHO+HO2 = IC3H6CH2CHO+H2O2 4.760E+04 2.55 1.649E+04 REV / 4.627E+04 2.24 4.430E+03 / IC4H9CHO+HO2 = IC3H7CHCHO+H2O2 9.640E+03 2.60 1.151E+04 REV / 1.426E+06 2.01 8.942E+03 / IC4H9CHO+CH3O2 = IC4H9CO+CH3O2H 2.800E+12 0.00 1.360E+04 REV / 4.121E+13 -0.50 1.294E+04 / IC4H9CHO+CH3O2 = TC3H6CH2CHO+CH3O2H 3.610E+03 2.55 1.053E+04 REV / 3.401E+02 2.60 2.284E+03 / IC4H9CHO+CH3O2 = IC3H6CH2CHO+CH3O2H 4.760E+04 2.55 1.649E+04 REV / 1.901E+05 2.07 3.710E+03 / IC4H9CHO+CH3O2 = IC3H7CHCHO+CH3O2H 9.640E+03 2.60 1.151E+04 REV / 5.861E+06 1.83 8.222E+03 / IC4H9CO = IC4H9+CO 4.416E+16 -1.00 1.335E+04 REV / 1.500E+11 0.00 4.810E+03 / IC4H9CO = IC3H7+CH2CO 6.784E+12 0.17 3.634E+04 REV / 1.000E+11 0.00 9.200E+03 / TC3H6CH2CHO = IC4H8+HCO 1.393E+14 -0.55 2.324E+04 REV / 1.000E+11 0.00 6.000E+03 / IC3H6CH2CHO = C3H6+CH2CHO 1.569E+16 -1.12 2.587E+04 REV / 8.000E+10 0.00 1.060E+04 / IC3H6CH2CHO = AC3H5CHO+CH3 1.915E+15 -0.72 3.287E+04 REV / 8.000E+10 0.00 1.060E+04 / IC3H7CHCHO = SC3H5CHO+CH3 4.405E+15 -0.64 3.215E+04 REV / 1.230E+11 0.00 1.060E+04 / IC5H11CHO+OH = IC5H11CO+H2O 3.370E+12 0.00 -6.160E+02 REV / 2.167E+12 0.00 3.092E+04 / IC5H11CHO+OH = AC5H10CHO+H2O 1.530E+08 1.53 8.775E+03 REV / 3.031E+07 1.53 2.820E+04 / IC5H11CHO+OH = BC5H10CHO+H2O 1.684E+12 0.00 -7.810E+02 REV / 5.634E+09 0.58 2.313E+04 / IC5H11CHO+OH = CC5H10CHO+H2O 3.615E+07 1.64 -2.470E+02 REV / 4.277E+05 1.99 2.167E+04 / IC5H11CHO+OH = DC5H10CHO+H2O 2.900E+09 1.00 2.580E+02 REV / 7.660E+10 0.73 2.916E+04 / IC5H11CHO+HO2 = IC5H11CO+H2O2 3.000E+12 0.00 1.192E+04 REV / 1.145E+13 -0.33 1.200E+04 / IC5H11CHO+HO2 = AC5H10CHO+H2O2 4.760E+04 2.55 1.649E+04 REV / 5.598E+04 2.22 4.456E+03 / IC5H11CHO+HO2 = BC5H10CHO+H2O2 8.000E+10 0.00 1.192E+04 REV / 1.589E+09 0.25 4.372E+03 / IC5H11CHO+HO2 = CC5H10CHO+H2O2 5.600E+12 0.00 1.770E+04 REV / 3.933E+11 0.02 8.152E+03 / IC5H11CHO+HO2 = DC5H10CHO+H2O2 9.640E+03 2.60 1.151E+04 REV / 1.511E+06 2.00 8.952E+03 / IC5H11CHO+CH3O2 = IC5H11CO+CH3O2H 2.800E+12 0.00 1.360E+04 REV / 4.392E+13 -0.51 1.295E+04 / IC5H11CHO+CH3O2 = AC5H10CHO+CH3O2H 4.760E+04 2.55 1.649E+04 REV / 2.301E+05 2.04 3.736E+03 / IC5H11CHO+CH3O2 = BC5H10CHO+CH3O2H 3.610E+03 2.55 1.053E+04 REV / 2.946E+02 2.62 2.264E+03 / IC5H11CHO+CH3O2 = CC5H10CHO+CH3O2H 9.640E+03 2.60 1.391E+04 REV / 2.782E+03 2.45 3.642E+03 / IC5H11CHO+CH3O2 = DC5H10CHO+CH3O2H 9.640E+03 2.60 1.151E+04 REV / 6.211E+06 1.82 8.232E+03 / IC5H11CO = DC5H11+CO 3.415E+16 -1.03 1.353E+04 REV / 1.500E+11 0.00 4.810E+03 / IC5H11CO = IC4H9+CH2CO 3.027E+16 -0.88 3.849E+04 REV / 1.000E+11 0.00 9.200E+03 / AC5H10CHO = C3H6+CH2CH2CHO 2.046E+19 -1.59 3.156E+04 REV / 8.000E+10 0.00 9.600E+03 / BC5H10CHO = IC4H8+CH2CHO 5.410E+15 -1.13 2.748E+04 REV / 1.000E+11 0.00 1.060E+04 / CC5H10CHO = CC5H10+HCO 3.081E+14 -0.66 2.633E+04 REV / 1.000E+11 0.00 9.600E+03 / CC5H10CHO = C4H7CHO2-1+CH3 3.343E+14 -0.56 3.252E+04 REV / 1.000E+11 0.00 1.060E+04 / DC5H10CHO = IC3H7+C2H3CHO 1.215E+16 -0.54 3.326E+04 REV / 1.000E+11 0.00 1.190E+04 / C4H7CHO1-4+OH = C4H7CO1-4+H2O 3.370E+12 0.00 -6.160E+02 REV / 2.398E+12 -0.02 3.094E+04 / C4H7CHO1-4+OH = C4H6CHO1-43+H2O 2.080E+06 2.00 -2.980E+02 REV / 1.187E+08 1.74 3.498E+04 / C4H7CHO1-4+OH = C4H6CHO1-44+H2O 4.670E+07 1.61 -3.500E+01 REV / 1.502E+09 1.31 2.890E+04 / C4H7CHO1-4+OH = CH3CHO+CH2CH2CHO 1.000E+11 0.00 0.000E+00 REV / 5.344E+06 0.97 1.926E+04 / C4H7CHO1-4+HO2 = C4H7CO1-4+H2O2 1.000E+12 0.00 1.192E+04 REV / 4.225E+12 -0.35 1.201E+04 / C4H7CHO1-4+HO2 = C4H6CHO1-43+H2O2 9.640E+03 2.60 1.391E+04 REV / 3.265E+06 2.01 1.773E+04 / C4H7CHO1-4+HO2 = C4H6CHO1-44+H2O2 1.475E+04 2.60 1.391E+04 REV / 2.815E+06 1.97 1.138E+04 / C4H7CHO1-4+CH3O2 = C4H7CO1-4+CH3O2H 2.800E+12 0.00 1.360E+04 REV / 4.861E+13 -0.52 1.297E+04 / C4H7CHO1-4+CH3O2 = C4H6CHO1-43+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 2.770E+15 -0.77 2.015E+04 / C4H7CHO1-4+CH3O2 = C4H6CHO1-44+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 1.561E+15 -0.80 1.380E+04 / C4H7CO1-4 = C4H7+CO 2.787E+09 0.46 -1.600E+02 REV / 1.500E+11 0.00 4.810E+03 / C4H6CHO1-43 = C4H6+HCO 4.834E+15 -0.79 3.354E+04 REV / 1.000E+11 0.00 7.800E+03 / C4H6CHO1-44 = C2H3CHO+C2H3 2.118E+14 -0.39 3.716E+04 REV / 1.000E+11 0.00 7.800E+03 / C4H7CHO2-1+OH = C4H7CO2-1+H2O 3.370E+12 0.00 -6.160E+02 REV / 2.191E+12 -0.01 3.093E+04 / C4H7CHO2-1+OH = C4H6CHO2-11+H2O 2.080E+06 2.00 -2.980E+02 REV / 7.592E+07 1.80 3.491E+04 / C4H7CHO2-1+OH = C4H6CHO1-43+H2O 3.120E+06 2.00 -2.980E+02 REV / 1.540E+08 1.67 3.310E+04 / C4H7CHO2-1+OH = C2H5CHO+CH2CHO 1.000E+11 0.00 0.000E+00 REV / 3.065E+09 0.49 2.428E+04 / C4H7CHO2-1+HO2 = C4H7CO2-1+H2O2 1.000E+12 0.00 1.192E+04 REV / 3.859E+12 -0.33 1.200E+04 / C4H7CHO2-1+HO2 = C4H6CHO1-43+H2O2 9.640E+03 2.60 1.391E+04 REV / 2.824E+06 1.94 1.585E+04 / C4H7CHO2-1+HO2 = C4H6CHO2-11+H2O2 1.475E+04 2.60 1.391E+04 REV / 3.196E+06 2.07 1.766E+04 / C4H7CHO2-1+CH3O2 = C4H7CO2-1+CH3O2H 2.800E+12 0.00 1.360E+04 REV / 4.440E+13 -0.51 1.296E+04 / C4H7CHO2-1+CH3O2 = C4H6CHO1-43+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 2.396E+15 -0.84 1.827E+04 / C4H7CHO2-1+CH3O2 = C4H6CHO2-11+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 1.772E+15 -0.71 2.008E+04 / C4H7CO2-1 = C4H7+CO 2.943E+09 0.54 1.710E+03 REV / 1.500E+11 0.00 4.810E+03 / C4H6CHO2-11+HO2 = SC3H5CHO+HCO+OH 8.910E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / NC5H11CHO-2+OH = NC5H11CO-2+H2O 3.370E+12 0.00 -6.160E+02 REV / 2.192E+12 -0.01 3.093E+04 / NC5H11CHO-2+OH = C5H10CHO1-2+H2O 6.240E+06 2.00 -2.980E+02 REV / 1.363E+06 1.98 1.915E+04 / NC5H11CHO-2+OH = C5H10CHO2-2+H2O 1.684E+12 0.00 -7.810E+02 REV / 1.205E+13 -0.18 2.992E+04 / NC5H11CHO-2+OH = C5H10CHO3-2+H2O 9.340E+07 1.61 -3.500E+01 REV / 9.440E+05 1.98 2.186E+04 / NC5H11CHO-2+OH = C5H10CHO4-2+H2O 9.340E+07 1.61 -3.500E+01 REV / 9.440E+05 1.98 2.186E+04 / NC5H11CHO-2+OH = C5H10CHO5-2+H2O 6.240E+06 2.00 -2.980E+02 REV / 1.363E+06 1.98 1.915E+04 / NC5H11CHO-2+HO2 = NC5H11CO-2+H2O2 1.000E+12 0.00 1.192E+04 REV / 3.861E+12 -0.33 1.200E+04 / NC5H11CHO-2+HO2 = C5H10CHO1-2+H2O2 5.520E+04 2.55 1.648E+04 REV / 7.159E+04 2.21 4.462E+03 / NC5H11CHO-2+HO2 = C5H10CHO2-2+H2O2 1.000E+10 0.00 1.192E+04 REV / 4.248E+11 -0.51 1.116E+04 / NC5H11CHO-2+HO2 = C5H10CHO3-2+H2O2 2.950E+04 2.60 1.391E+04 REV / 1.770E+03 2.65 4.342E+03 / NC5H11CHO-2+HO2 = C5H10CHO4-2+H2O2 2.950E+04 2.60 1.391E+04 REV / 1.770E+03 2.65 4.342E+03 / NC5H11CHO-2+HO2 = C5H10CHO5-2+H2O2 5.520E+04 2.55 1.648E+04 REV / 7.159E+04 2.21 4.462E+03 / NC5H11CHO-2+CH3O2 = NC5H11CO-2+CH3O2H 1.000E+12 0.00 1.192E+04 REV / 1.587E+13 -0.51 1.128E+04 / NC5H11CHO-2+CH3O2 = C5H10CHO1-2+CH3O2H 6.030E+12 0.00 1.938E+04 REV / 3.214E+13 -0.52 6.637E+03 / NC5H11CHO-2+CH3O2 = C5H10CHO2-2+CH3O2H 1.000E+10 0.00 1.191E+04 REV / 1.746E+12 -0.68 1.043E+04 / NC5H11CHO-2+CH3O2 = C5H10CHO3-2+CH3O2H 3.980E+12 0.00 1.705E+04 REV / 9.812E+11 -0.13 6.764E+03 / NC5H11CHO-2+CH3O2 = C5H10CHO4-2+CH3O2H 3.980E+12 0.00 1.705E+04 REV / 9.812E+11 -0.13 6.764E+03 / NC5H11CHO-2+CH3O2 = C5H10CHO5-2+CH3O2H 6.030E+12 0.00 1.938E+04 REV / 3.214E+13 -0.52 6.637E+03 / NC5H11CO-2 = NC3H7+CH3CHCO 3.372E+18 -1.46 3.975E+04 REV / 1.000E+11 0.00 1.060E+04 / C5H10CHO1-2 = C5H10-1+HCO 3.451E+15 -0.80 2.668E+04 REV / 1.000E+11 0.00 1.060E+04 / C5H10CHO2-2 = IC3H5CHO+C2H5 1.186E+18 -1.36 3.317E+04 REV / 1.000E+11 0.00 8.300E+03 / C5H10CHO3-2 = C5H10-2+HCO 4.590E+15 -1.01 2.627E+04 REV / 1.000E+11 0.00 1.060E+04 / C5H10CHO4-2 = C3H6+CH3CHCHO 6.154E+15 -1.06 2.301E+04 REV / 1.000E+11 0.00 8.300E+03 / C5H10CHO5-2 = C2H4+IC3H6CHO 1.549E+18 -1.60 3.043E+04 REV / 2.500E+11 0.00 7.800E+03 / IC4H9COCH3+OH = IC4H9COCH2+H2O 5.100E+11 0.00 1.192E+03 REV / 6.765E+13 -0.70 2.767E+04 / IC4H9COCH3+OH = IC3H6CH2COCH3+H2O 1.510E+10 0.97 1.586E+03 REV / 2.780E+09 0.98 2.100E+04 / IC4H9COCH3+OH = IC3H7CHCOCH3+H2O 8.450E+11 0.00 -2.280E+02 REV / 1.703E+13 -0.24 2.864E+04 / IC4H9COCH3+OH = TC3H6CH2COCH3+H2O 5.730E+10 0.51 6.300E+01 REV / 1.778E+08 1.10 2.397E+04 / IC4H9COCH3+HO2 = IC4H9COCH2+H2O2 2.380E+04 2.55 1.469E+04 REV / 1.874E+07 1.52 9.702E+03 / IC4H9COCH3+HO2 = IC3H6CH2COCH3+H2O2 4.760E+04 2.55 1.649E+04 REV / 5.202E+04 2.23 4.442E+03 / IC4H9COCH3+HO2 = IC3H7CHCOCH3+H2O2 2.000E+11 0.00 8.698E+03 REV / 2.393E+13 -0.56 6.100E+03 / IC4H9COCH3+HO2 = TC3H6CH2COCH3+H2O2 2.800E+12 0.00 1.600E+04 REV / 5.157E+10 0.26 8.442E+03 / IC4H9COCH3+CH3O2 = IC4H9COCH2+CH3O2H 3.010E+12 0.00 1.758E+04 REV / 9.740E+15 -1.21 1.187E+04 / IC4H9COCH3+CH3O2 = IC3H6CH2COCH3+CH3O2H 6.020E+12 0.00 1.938E+04 REV / 2.703E+13 -0.50 6.612E+03 / IC4H9COCH3+CH3O2 = IC3H7CHCOCH3+CH3O2H 2.000E+12 0.00 1.525E+04 REV / 9.832E+14 -0.74 1.193E+04 / IC4H9COCH3+CH3O2 = TC3H6CH2COCH3+CH3O2H 3.610E+03 2.55 1.053E+04 REV / 2.732E+02 2.63 2.254E+03 / IC4H9COCH2 = IC4H9+CH2CO 8.291E+18 -1.52 4.436E+04 REV / 1.000E+11 0.00 1.260E+04 / IC3H6CH2COCH3 = C3H6+CH3COCH2 3.606E+17 -1.22 3.035E+04 REV / 1.000E+11 0.00 1.260E+04 / IC3H7CHCOCH3 = IC3H5COCH3+CH3 2.901E+16 -0.89 3.451E+04 REV / 1.000E+11 0.00 1.060E+04 / TC3H6CH2COCH3 = IC4H8+CH3CO 6.148E+17 -1.45 3.178E+04 REV / 1.000E+11 0.00 1.260E+04 / AC6H13+HO2 = AC6H13O+OH 7.000E+12 0.00 -1.000E+03 REV / 7.268E+15 -0.74 2.691E+04 / BC6H13+HO2 = BC6H13O+OH 7.000E+12 0.00 -1.000E+03 REV / 2.886E+19 -1.64 2.930E+04 / CC6H13+HO2 = CC6H13O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.887E+18 -1.37 2.889E+04 / DC6H13+HO2 = DC6H13O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.887E+18 -1.37 2.889E+04 / EC6H13+HO2 = EC6H13O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.448E+16 -0.74 2.691E+04 / AC6H13+CH3O2 = AC6H13O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 7.098E+17 -1.32 3.167E+04 / BC6H13+CH3O2 = BC6H13O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 2.818E+21 -2.22 3.406E+04 / CC6H13+CH3O2 = CC6H13O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.843E+20 -1.94 3.366E+04 / DC6H13+CH3O2 = DC6H13O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.843E+20 -1.94 3.366E+04 / EC6H13+CH3O2 = EC6H13O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.414E+18 -1.32 3.167E+04 / NEOC6H14 = BC5H11+CH3 1.551E+23 -1.86 8.597E+04 REV / 4.000E+12 0.00 -5.960E+02 / NEOC6H14 = TC4H9+C2H5 9.277E+26 -2.81 8.619E+04 REV / 4.000E+12 0.00 -5.960E+02 / NEOC6H14 = NEOC5H11+CH3 2.145E+19 -0.99 8.662E+04 REV / 4.000E+12 0.00 -5.960E+02 / NEOC6H14 = FC6H13+H 4.449E+19 -1.00 1.032E+05 REV / 3.610E+13 0.00 0.000E+00 / NEOC6H14 = GC6H13+H 2.452E+20 -1.35 1.007E+05 REV / 3.610E+13 0.00 0.000E+00 / NEOC6H14 = HC6H13+H 1.485E+19 -1.00 1.032E+05 REV / 3.610E+13 0.00 0.000E+00 / NEOC6H14+H = FC6H13+H2 9.788E+05 2.77 8.147E+03 REV / 1.498E+04 2.77 1.242E+04 / NEOC6H14+H = GC6H13+H2 1.300E+06 2.40 4.471E+03 REV / 3.609E+03 2.75 1.124E+04 / NEOC6H14+H = HC6H13+H2 9.400E+04 2.75 6.280E+03 REV / 4.308E+03 2.75 1.055E+04 / NEOC6H14+O = FC6H13+OH 4.046E+07 2.03 5.136E+03 REV / 2.719E+05 2.03 7.313E+03 / NEOC6H14+O = GC6H13+OH 5.946E+05 2.44 2.846E+03 REV / 7.250E+02 2.79 7.524E+03 / NEOC6H14+O = HC6H13+OH 1.046E+06 2.42 4.766E+03 REV / 2.106E+04 2.42 6.943E+03 / NEOC6H14+OH = FC6H13+H2O 2.372E+07 1.80 2.981E+02 REV / 1.572E+06 1.80 1.973E+04 / NEOC6H14+OH = GC6H13+H2O 4.700E+07 1.61 -3.500E+01 REV / 5.649E+05 1.96 2.189E+04 / NEOC6H14+OH = HC6H13+H2O 5.270E+09 0.97 1.586E+03 REV / 1.046E+09 0.97 2.101E+04 / NEOC6H14+CH3 = FC6H13+CH4 1.356E+00 3.65 7.154E+03 REV / 5.421E-01 3.65 1.191E+04 / NEOC6H14+CH3 = GC6H13+CH4 8.400E+04 2.13 7.574E+03 REV / 6.092E+03 2.48 1.483E+04 / NEOC6H14+CH3 = HC6H13+CH4 4.520E-01 3.65 7.154E+03 REV / 5.412E-01 3.65 1.191E+04 / NEOC6H14+HO2 = FC6H13+H2O2 2.520E+13 0.00 2.044E+04 REV / 9.912E+12 -0.33 8.407E+03 / NEOC6H14+HO2 = GC6H13+H2O2 5.600E+12 0.00 1.769E+04 REV / 3.996E+11 0.02 8.155E+03 / NEOC6H14+HO2 = HC6H13+H2O2 8.400E+12 0.00 2.044E+04 REV / 9.895E+12 -0.33 8.407E+03 / NEOC6H14+CH3O = FC6H13+CH3OH 4.800E+11 0.00 7.000E+03 REV / 1.200E+10 0.00 9.200E+03 / NEOC6H14+CH3O = GC6H13+CH3OH 1.090E+11 0.00 5.000E+03 REV / 8.900E+09 0.00 7.200E+03 / NEOC6H14+CH3O = HC6H13+CH3OH 1.600E+11 0.00 7.000E+03 REV / 1.200E+10 0.00 9.200E+03 / NEOC6H14+O2 = FC6H13+HO2 6.300E+13 0.00 5.281E+04 REV / 1.751E+10 0.33 -4.050E+02 / NEOC6H14+O2 = GC6H13+HO2 1.400E+13 0.00 5.016E+04 REV / 7.061E+08 0.68 -5.540E+02 / NEOC6H14+O2 = HC6H13+HO2 2.100E+13 0.00 5.281E+04 REV / 1.748E+10 0.33 -4.050E+02 / NEOC6H14+C2H5 = FC6H13+C2H6 1.500E+11 0.00 1.340E+04 REV / 3.200E+11 0.00 1.230E+04 / NEOC6H14+C2H5 = GC6H13+C2H6 5.000E+10 0.00 1.040E+04 REV / 1.000E+11 0.00 1.290E+04 / NEOC6H14+C2H5 = HC6H13+C2H6 5.000E+10 0.00 1.340E+04 REV / 3.200E+11 0.00 1.230E+04 / NEOC6H14+C2H3 = FC6H13+C2H4 1.500E+12 0.00 1.800E+04 REV / 2.600E+12 0.00 2.540E+04 / NEOC6H14+C2H3 = GC6H13+C2H4 4.000E+11 0.00 1.680E+04 REV / 2.000E+12 0.00 2.420E+04 / NEOC6H14+C2H3 = HC6H13+C2H4 5.000E+11 0.00 1.800E+04 REV / 2.600E+12 0.00 2.540E+04 / NEOC6H14+CH3O2 = FC6H13+CH3O2H 2.520E+13 0.00 2.044E+04 REV / 2.064E+13 -0.51 5.387E+03 / NEOC6H14+CH3O2 = GC6H13+CH3O2H 5.600E+12 0.00 1.769E+04 REV / 8.320E+11 -0.15 5.135E+03 / NEOC6H14+CH3O2 = HC6H13+CH3O2H 8.400E+12 0.00 2.044E+04 REV / 2.060E+13 -0.51 5.387E+03 / NEOC6H14+FC6H13 = GC6H13+NEOC6H14 5.000E+10 0.00 1.040E+04 REV / 2.250E+11 0.00 1.230E+04 / NEOC6H14+FC6H13 = HC6H13+NEOC6H14 7.500E+10 0.00 1.230E+04 REV / 2.250E+11 0.00 1.230E+04 / NEOC6H14+GC6H13 = HC6H13+NEOC6H14 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / FC6H13O2+NEOC6H14 = FC6H13O2H+FC6H13 1.814E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / GC6H13O2+NEOC6H14 = GC6H13O2H+FC6H13 1.814E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / HC6H13O2+NEOC6H14 = HC6H13O2H+FC6H13 1.814E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / FC6H13O2+NEOC6H14 = FC6H13O2H+GC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / GC6H13O2+NEOC6H14 = GC6H13O2H+GC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / HC6H13O2+NEOC6H14 = HC6H13O2H+GC6H13 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / FC6H13O2+NEOC6H14 = FC6H13O2H+HC6H13 6.048E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / GC6H13O2+NEOC6H14 = GC6H13O2H+HC6H13 6.048E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / HC6H13O2+NEOC6H14 = HC6H13O2H+HC6H13 6.048E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / FC6H13 = IC4H8+C2H5 1.486E+21 -2.22 3.231E+04 REV / 1.000E+11 0.00 1.060E+04 / GC6H13 = BC5H10+CH3 1.699E+17 -1.14 3.103E+04 REV / 1.000E+11 0.00 1.060E+04 / GC6H13 = NEOC6H12+H 1.374E+15 -0.55 3.977E+04 REV / 1.000E+13 0.00 1.200E+03 / HC6H13 = C2H4+TC4H9 3.180E+22 -2.61 2.967E+04 REV / 1.700E+11 0.00 8.300E+03 / HC6H13 = NEOC6H12+H 2.268E+16 -0.90 3.897E+04 REV / 1.000E+13 0.00 2.900E+03 / GC6H13+O2 = NEOC6H12+HO2 4.500E-29 0.00 5.020E+03 REV / 2.000E-29 0.00 1.750E+04 / HC6H13+O2 = NEOC6H12+HO2 3.000E-29 0.00 3.000E+03 REV / 2.000E-29 0.00 1.750E+04 / FC6H13 = HC6H13 3.000E+11 0.00 2.110E+04 REV / 9.000E+11 0.00 2.110E+04 / NEOC6H12+OH = NEOC6H11+H2O 3.000E+13 0.00 1.230E+03 REV / 8.663E+12 0.05 1.269E+04 / NEOC6H12+H = NEOC6H11+H2 3.700E+13 0.00 3.900E+03 REV / 2.468E+12 0.05 2.000E+02 / NEOC6H12+CH3 = NEOC6H11+CH4 1.000E+12 0.00 7.300E+03 REV / 1.742E+12 0.05 4.080E+03 / NEOC6H12+O = NEOC6H11+OH 2.390E+13 -0.05 3.570E+04 REV / 7.000E+11 0.00 2.990E+04 / NEOC6H12+OH = NEOC5H11+CH2O 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / NEOC6H12+O = NEOC5H11+HCO 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / NEOC6H11 = IC4H8+C2H3 4.792E+17 -1.23 2.964E+04 REV / 7.500E+10 0.00 1.060E+04 / NEOC6H12 = CH3+IC5H9 1.000E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / FC6H13O2 = FC6H13+O2 1.232E+20 -1.69 3.576E+04 REV / 1.240E+12 0.00 0.000E+00 / GC6H13O2 = GC6H13+O2 1.850E+23 -2.36 3.808E+04 REV / 5.240E+12 0.00 0.000E+00 / HC6H13O2 = HC6H13+O2 4.491E+20 -1.69 3.576E+04 REV / 4.520E+12 0.00 0.000E+00 / FC6H13+FC6H13O2 = FC6H13O+FC6H13O 7.000E+12 0.00 -1.000E+03 REV / 8.494E+13 -0.19 2.982E+04 / FC6H13+GC6H13O2 = FC6H13O+GC6H13O 7.000E+12 0.00 -1.000E+03 REV / 2.588E+13 -0.13 2.945E+04 / FC6H13+HC6H13O2 = FC6H13O+HC6H13O 7.000E+12 0.00 -1.000E+03 REV / 2.836E+13 -0.19 2.982E+04 / GC6H13+FC6H13O2 = GC6H13O+FC6H13O 7.000E+12 0.00 -1.000E+03 REV / 9.193E+15 -0.80 3.177E+04 / GC6H13+GC6H13O2 = GC6H13O+GC6H13O 7.000E+12 0.00 -1.000E+03 REV / 2.801E+15 -0.73 3.140E+04 / GC6H13+HC6H13O2 = GC6H13O+HC6H13O 7.000E+12 0.00 -1.000E+03 REV / 3.070E+15 -0.80 3.177E+04 / HC6H13+FC6H13O2 = HC6H13O+FC6H13O 7.000E+12 0.00 -1.000E+03 REV / 2.836E+13 -0.19 2.982E+04 / HC6H13+GC6H13O2 = HC6H13O+GC6H13O 7.000E+12 0.00 -1.000E+03 REV / 8.642E+12 -0.13 2.945E+04 / HC6H13+HC6H13O2 = HC6H13O+HC6H13O 7.000E+12 0.00 -1.000E+03 REV / 9.470E+12 -0.19 2.982E+04 / FC6H13O2 = FC6H12OOH-F 7.500E+10 0.00 2.440E+04 REV / 2.771E+11 -0.56 9.010E+03 / FC6H13O2 = FC6H12OOH-G 2.500E+10 0.00 2.085E+04 REV / 2.940E+09 -0.12 7.870E+03 / FC6H13O2 = FC6H12OOH-H 4.688E+09 0.00 2.235E+04 REV / 1.732E+10 -0.56 6.960E+03 / GC6H13O2 = GC6H12OOH-F 1.125E+11 0.00 2.440E+04 REV / 1.824E+11 -0.60 9.040E+03 / GC6H13O2 = GC6H12OOH-H 3.000E+11 0.00 2.940E+04 REV / 1.457E+12 -0.60 1.404E+04 / HC6H13O2 = HC6H12OOH-F 1.406E+10 0.00 2.235E+04 REV / 1.143E+10 -0.51 6.900E+03 / HC6H13O2 = HC6H12OOH-G 2.000E+11 0.00 2.685E+04 REV / 1.938E+10 -0.10 1.383E+04 / FC6H13O2+HO2 = FC6H13O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.039E+13 -0.83 3.448E+04 / GC6H13O2+HO2 = GC6H13O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.980E+13 -0.85 3.450E+04 / HC6H13O2+HO2 = HC6H13O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.039E+13 -0.83 3.448E+04 / FC6H13O2+H2O2 = FC6H13O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / GC6H13O2+H2O2 = GC6H13O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / HC6H13O2+H2O2 = HC6H13O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / FC6H13O2+CH3O2 = FC6H13O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / GC6H13O2+CH3O2 = GC6H13O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / HC6H13O2+CH3O2 = HC6H13O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / FC6H13O2+FC6H13O2 = O2+FC6H13O+FC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / FC6H13O2+GC6H13O2 = O2+FC6H13O+GC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / FC6H13O2+HC6H13O2 = O2+FC6H13O+HC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / GC6H13O2+GC6H13O2 = O2+GC6H13O+GC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / GC6H13O2+HC6H13O2 = O2+GC6H13O+HC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / HC6H13O2+HC6H13O2 = O2+HC6H13O+HC6H13O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / FC6H13O2H = FC6H13O+OH 1.260E+16 0.00 4.250E+04 REV / 1.141E+08 1.75 -3.065E+03 / GC6H13O2H = GC6H13O+OH 9.450E+15 0.00 4.160E+04 REV / 2.198E+07 1.84 -4.355E+03 / HC6H13O2H = HC6H13O+OH 1.260E+16 0.00 4.250E+04 REV / 3.811E+07 1.75 -3.065E+03 / FC6H13O = CH2O+BC5H11 2.683E+21 -2.31 1.969E+04 REV / 1.000E+11 0.00 1.190E+04 / GC6H13O = CH3CHO+TC4H9 3.775E+26 -3.61 1.960E+04 REV / 1.000E+11 0.00 1.190E+04 / HC6H13O = CH2O+NEOC5H11 3.711E+17 -1.43 2.033E+04 REV / 1.000E+11 0.00 1.190E+04 / GC6H12OOH-H = NEOC6H12+HO2 3.136E+22 -2.83 2.479E+04 REV / 4.560E+11 0.00 1.346E+04 / HC6H12OOH-G = NEOC6H12+HO2 2.907E+19 -2.02 2.231E+04 REV / 4.560E+11 0.00 1.346E+04 / FC6H12OOH-F = F-FC6H12O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / FC6H12OOH-G = F-GC6H12O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / FC6H12OOH-H = F-HC6H12O+OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / GC6H12OOH-H = G-HC6H12O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / GC6H12OOH-F = F-GC6H12O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / HC6H12OOH-G = G-HC6H12O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / HC6H12OOH-F = F-HC6H12O+OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / FC6H12OOH-F = OH+CH2O+AC5H10 4.948E+17 -1.15 2.843E+04 REV / 0.000E+00 0.00 0.000E+00 / FC6H12OOH-G = OH+CH2O+BC5H10 6.788E+16 -0.99 2.807E+04 REV / 0.000E+00 0.00 0.000E+00 / GC6H12OOH-F = OH+CH3CHO+IC4H8 4.754E+21 -2.37 2.781E+04 REV / 0.000E+00 0.00 0.000E+00 / FC6H12OOH-H = IC4H8+C2H4+HO2 1.405E+22 -3.12 2.585E+04 REV / 0.000E+00 0.00 0.000E+00 / FC6H12OOH-FO2 = FC6H12OOH-F+O2 5.741E+19 -1.58 3.565E+04 REV / 1.240E+12 0.00 0.000E+00 / FC6H12OOH-GO2 = FC6H12OOH-G+O2 5.752E+22 -2.29 3.801E+04 REV / 5.240E+12 0.00 0.000E+00 / FC6H12OOH-HO2 = FC6H12OOH-H+O2 2.093E+20 -1.58 3.565E+04 REV / 4.520E+12 0.00 0.000E+00 / GC6H12OOH-FO2 = GC6H12OOH-F+O2 1.533E+19 -1.50 3.557E+04 REV / 1.240E+12 0.00 0.000E+00 / GC6H12OOH-HO2 = GC6H12OOH-H+O2 5.584E+19 -1.50 3.557E+04 REV / 4.520E+12 0.00 0.000E+00 / HC6H12OOH-FO2 = HC6H12OOH-F+O2 8.708E+19 -1.64 3.571E+04 REV / 1.240E+12 0.00 0.000E+00 / HC6H12OOH-GO2 = HC6H12OOH-G+O2 6.982E+22 -2.31 3.805E+04 REV / 5.240E+12 0.00 0.000E+00 / FC6H12OOH-FO2 = NEOC6KETFF+OH 2.500E+10 0.00 2.140E+04 REV / 5.004E+03 1.26 4.370E+04 / FC6H12OOH-GO2 = NEOC6KETFG+OH 2.500E+10 0.00 2.140E+04 REV / 1.571E+04 1.20 4.376E+04 / FC6H12OOH-HO2 = NEOC6KETFH+OH 3.125E+09 0.00 1.935E+04 REV / 1.247E+03 1.26 4.165E+04 / GC6H12OOH-FO2 = NEOC6KETGF+OH 1.250E+10 0.00 1.785E+04 REV / 6.462E+02 1.63 4.287E+04 / GC6H12OOH-HO2 = NEOC6KETGH+OH 1.000E+11 0.00 2.385E+04 REV / 2.255E+03 1.63 4.898E+04 / HC6H12OOH-FO2 = NEOC6KETHF+OH 3.125E+09 0.00 1.935E+04 REV / 7.799E+02 1.32 4.264E+04 / HC6H12OOH-GO2 = NEOC6KETHG+OH 2.000E+11 0.00 2.640E+04 REV / 1.325E+05 1.16 4.887E+04 / F-FC6H12O+OH = IC5H10CHO-BA+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / F-GC6H12O+OH = IC5H10CHO-BC+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / F-HC6H12O+OH = TC4H8CH2CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / G-HC6H12O+OH = TC4H9CHCHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / F-FC6H12O+OH = IC5H9+CH2O+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / F-GC6H12O+OH = TC4H8COCH3+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / F-HC6H12O+OH = IC5H10CHO-BD+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / G-HC6H12O+OH = TC4H9COCH2+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / F-FC6H12O+HO2 = IC5H10CHO-BA+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / F-GC6H12O+HO2 = IC5H10CHO-BC+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / F-HC6H12O+HO2 = TC4H8CH2CHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / G-HC6H12O+HO2 = TC4H9CHCHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / F-FC6H12O+HO2 = IC5H9+CH2O+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / F-GC6H12O+HO2 = TC4H8COCH3+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / F-HC6H12O+HO2 = IC5H10CHO-BD+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / G-HC6H12O+HO2 = TC4H9COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC6KETFF = CH2O+C4H8CHO2-2+OH 1.500E+16 0.00 4.250E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC6KETFG = CH3CHO+TC3H6CHO+OH 9.450E+15 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC6KETFH = CH2O+TC4H8CHO+OH 1.500E+16 0.00 4.250E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC6KETGF = CH2O+TC3H6COCH3+OH 1.500E+16 0.00 4.250E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC6KETGH = CH2O+TC4H9CO+OH 1.500E+16 0.00 4.250E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC6KETHF = CH2O+TC3H6CH2CHO+OH 1.500E+16 0.00 4.250E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC6KETHG = TC4H9CHO+HCO+OH 9.450E+15 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC6H14+O2CHO = FC6H13+HO2CHO 2.520E+13 0.00 2.044E+04 REV / 5.657E+02 2.30 3.057E+03 / NEOC6H14+O2CHO = GC6H13+HO2CHO 5.600E+12 0.00 1.769E+04 REV / 2.280E+01 2.65 2.809E+03 / NEOC6H14+O2CHO = HC6H13+HO2CHO 8.400E+12 0.00 2.044E+04 REV / 5.647E+02 2.30 3.057E+03 / TC4H9CHO+HO2 = TC4H9CO+H2O2 1.000E+12 0.00 1.192E+04 REV / 3.852E+12 -0.33 1.200E+04 / TC4H9CHO+CH3 = TC4H9CO+CH4 3.980E+12 0.00 8.700E+03 REV / 1.558E+13 0.00 2.557E+04 / TC4H9CHO+O = TC4H9CO+OH 7.180E+12 0.00 1.389E+03 REV / 4.726E+11 0.00 1.568E+04 / TC4H9CHO+O2 = TC4H9CO+HO2 4.000E+13 0.00 3.760E+04 REV / 1.089E+11 0.32 -3.492E+03 / TC4H9CHO+OH = TC4H9CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.746E+10 0.76 3.121E+04 / TC4H9CO = TC4H9+CO 2.055E+21 -2.30 1.118E+04 REV / 1.500E+11 0.00 4.810E+03 / TC4H9CHO+OH = TC4H8CHO+H2O 2.290E+08 1.53 7.750E+02 REV / 7.775E+06 1.52 2.021E+04 / TC4H9CHO+H = TC4H8CHO+H2 1.810E+06 2.54 6.756E+03 REV / 1.419E+04 2.53 1.104E+04 / TC4H9CHO+HO2 = TC4H8CHO+H2O2 3.010E+04 2.55 1.550E+04 REV / 6.067E+03 2.22 3.472E+03 / TC4H9CHO+CH3 = TC4H8CHO+CH4 1.360E+00 3.65 7.154E+03 REV / 2.786E-01 3.64 1.191E+04 / TC4H9CHO+CH3O = TC4H8CHO+CH3OH 4.820E+11 0.00 7.313E+03 REV / 1.822E+09 0.02 9.863E+03 / TC4H9CHO+CH3O2 = TC4H8CHO+CH3O2H 3.010E+04 2.55 1.550E+04 REV / 2.493E+04 2.04 2.752E+03 / NEOC5H11CHO+OH = NEOC5H11CO+H2O 3.370E+12 0.00 -6.160E+02 REV / 2.076E+12 0.00 3.092E+04 / NEOC5H11CHO+OH = TC4H9CHCHO+H2O 4.670E+07 1.61 -3.500E+01 REV / 1.249E+09 1.34 2.887E+04 / NEOC5H11CHO+OH = TC4H8CH2CHO+H2O 1.290E+10 1.05 1.810E+03 REV / 2.470E+09 1.05 2.124E+04 / NEOC5H11CHO+HO2 = NEOC5H11CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.024E+13 -0.33 1.367E+04 / NEOC5H11CHO+HO2 = TC4H9CHCHO+H2O2 8.000E+10 0.00 1.192E+04 REV / 1.270E+13 -0.60 9.362E+03 / NEOC5H11CHO+HO2 = TC4H8CH2CHO+H2O2 1.680E+13 0.00 1.940E+04 REV / 1.909E+13 -0.33 7.362E+03 / NEOC5H11CHO+CH3O2 = NEOC5H11CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 1.503E+13 -0.50 8.852E+03 / NEOC5H11CHO+CH3O2 = TC4H9CHCHO+CH3O2H 8.000E+10 0.00 1.192E+04 REV / 5.220E+13 -0.78 8.642E+03 / NEOC5H11CHO+CH3O2 = TC4H8CH2CHO+CH3O2H 1.680E+13 0.00 1.940E+04 REV / 7.846E+13 -0.50 6.642E+03 / NEOC5H11CO = NEOC5H11+CO 2.433E+17 -1.27 1.344E+04 REV / 1.500E+11 0.00 4.810E+03 / NEOC5H11CO = TC4H9+CH2CO 3.657E+16 -1.03 3.487E+04 REV / 1.000E+11 0.00 9.200E+03 / TC4H9CHCHO = IC3H6CHCHO+CH3 2.285E+17 -1.08 3.177E+04 REV / 1.000E+11 0.00 1.060E+04 / TC4H8CH2CHO = IC4H8+CH2CHO 6.610E+19 -2.20 2.809E+04 REV / 1.000E+11 0.00 1.260E+04 / TC4H8CH2CHO = IC4H7CHO+CH3 1.673E+17 -1.17 3.451E+04 REV / 1.000E+11 0.00 1.260E+04 / IC4H7CHO+OH = IC4H7CO+H2O 3.370E+12 0.00 -6.160E+02 REV / 2.186E+12 -0.01 3.093E+04 / IC4H7CHO+OH = AC3H4CH2CHO+H2O 3.120E+06 2.00 -2.980E+02 REV / 3.621E+08 1.44 3.240E+04 / IC4H7CHO+OH = IC3H5CHCHO+H2O 4.240E+06 2.00 -2.980E+02 REV / 1.591E+08 1.79 3.491E+04 / IC4H7CHO+HO2 = IC4H7CO+H2O2 3.000E+12 0.00 1.192E+04 REV / 1.155E+13 -0.33 1.200E+04 / IC4H7CHO+HO2 = AC3H4CH2CHO+H2O2 9.640E+03 2.60 1.391E+04 REV / 6.642E+06 1.72 1.514E+04 / IC4H7CHO+HO2 = IC3H5CHCHO+H2O2 9.640E+03 2.60 1.251E+04 REV / 2.148E+06 2.07 1.626E+04 / IC4H7CHO+CH3O2 = IC4H7CO+CH3O2H 2.800E+12 0.00 1.360E+04 REV / 2.245E+13 -0.51 1.066E+04 / IC4H7CHO+CH3O2 = AC3H4CH2CHO+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 5.634E+15 -1.06 1.756E+04 / IC4H7CHO+CH3O2 = IC3H5CHCHO+CH3O2H 1.990E+12 0.00 1.595E+04 REV / 1.822E+15 -0.71 1.898E+04 / IC4H7CO = IC4H7+CO 1.109E+17 -1.30 1.223E+04 REV / 1.500E+11 0.00 4.810E+03 / IC4H7CO = C3H5-T+CH2CO 1.814E+16 -0.96 4.726E+04 REV / 1.000E+11 0.00 8.600E+03 / AC3H4CH2CHO = C3H4-A+CH2CHO 4.132E+20 -2.36 5.247E+04 REV / 1.000E+11 0.00 1.060E+04 / IC3H5CHCHO+HO2 = IC3H5CHO+HCO+OH 8.910E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC5H11CHO-B+OH = IC5H11CO-B+H2O 3.370E+12 0.00 -6.160E+02 REV / 2.185E+12 0.00 3.093E+04 / IC5H11CHO-B+OH = IC5H10CHO-BA+H2O 1.530E+08 1.53 8.775E+03 REV / 2.691E+07 1.54 2.819E+04 / IC5H11CHO-B+OH = IC5H10CHO-BC+H2O 4.670E+07 1.61 -3.500E+01 REV / 3.872E+05 2.01 2.184E+04 / IC5H11CHO-B+OH = IC5H10CHO-BD+H2O 5.270E+09 0.97 1.586E+03 REV / 9.268E+08 0.98 2.100E+04 / IC5H11CHO-B+HO2 = IC5H11CO-B+H2O2 1.000E+12 0.00 1.192E+04 REV / 3.849E+12 -0.33 1.200E+04 / IC5H11CHO-B+HO2 = IC5H10CHO-BA+H2O2 5.520E+04 2.55 1.648E+04 REV / 5.763E+04 2.24 4.432E+03 / IC5H11CHO-B+HO2 = IC5H10CHO-BC+H2O2 2.475E+04 2.60 1.391E+04 REV / 1.218E+03 2.67 4.322E+03 / IC5H11CHO-B+HO2 = IC5H10CHO-BD+H2O2 2.760E+04 2.55 1.648E+04 REV / 2.881E+04 2.24 4.432E+03 / IC5H11CHO-B+CH3O2 = IC5H11CO-B+CH3O2H 1.000E+12 0.00 1.192E+04 REV / 1.582E+13 -0.51 1.128E+04 / IC5H11CHO-B+CH3O2 = IC5H10CHO-BA+CH3O2H 4.760E+04 2.55 1.649E+04 REV / 2.042E+05 2.06 3.726E+03 / IC5H11CHO-B+CH3O2 = IC5H10CHO-BC+CH3O2H 1.770E+12 0.00 1.705E+04 REV / 3.580E+11 -0.10 6.744E+03 / IC5H11CHO-B+CH3O2 = IC5H10CHO-BD+CH3O2H 6.030E+12 0.00 1.938E+04 REV / 2.587E+13 -0.49 6.607E+03 / IC5H11CO-B = BC5H11+CO 1.038E+18 -1.36 9.078E+03 REV / 1.500E+11 0.00 4.810E+03 / IC5H11CO-B = IC3H6CO+C2H5 1.764E+20 -1.78 3.822E+04 REV / 1.000E+11 0.00 1.060E+04 / IC5H10CHO-BA = AC5H10+HCO 5.476E+18 -1.64 2.560E+04 REV / 1.000E+11 0.00 1.060E+04 / IC5H10CHO-BA = IC3H5CHO+C2H5 1.552E+19 -1.68 2.662E+04 REV / 1.000E+11 0.00 1.060E+04 / IC5H10CHO-BA = C4H7CHO1-2+CH3 1.953E+15 -0.74 2.581E+04 REV / 1.000E+11 0.00 1.060E+04 / IC5H10CHO-BC = BC5H10+HCO 7.371E+17 -1.50 2.570E+04 REV / 1.000E+11 0.00 1.120E+04 / IC5H10CHO-BC = C4H7CHO2-2+CH3 1.133E+16 0.36 2.130E+04 REV / 1.000E+11 0.00 1.060E+04 / IC5H10CHO-BD = TC3H6CHO+C2H4 5.814E+18 -1.85 2.489E+04 REV / 2.500E+11 0.00 1.120E+04 / C4H7CHO1-2+OH = C4H7CO1-2+H2O 3.370E+12 0.00 -6.160E+02 REV / 5.828E+12 0.01 3.681E+04 / C4H7CHO1-2+OH = C4H6CHO1-23+H2O 3.615E+07 1.64 -2.470E+02 REV / 1.511E+09 1.42 3.498E+04 / C4H7CHO1-2+OH = C4H6CHO1-24+H2O 2.065E+07 1.73 7.530E+02 REV / 4.305E+06 1.72 2.019E+04 / C4H7CHO1-2+HO2 = C4H7CO1-2+H2O2 1.000E+12 0.00 1.192E+04 REV / 1.027E+13 -0.31 1.788E+04 / C4H7CHO1-2+HO2 = C4H6CHO1-23+H2O2 5.600E+12 0.00 1.770E+04 REV / 1.389E+15 -0.55 2.146E+04 / C4H7CHO1-2+HO2 = C4H6CHO1-24+H2O2 2.380E+04 2.55 1.649E+04 REV / 2.946E+04 2.21 4.462E+03 / C4H7CHO1-2+CH3O2 = C4H7CO1-2+CH3O2H 2.800E+12 0.00 1.360E+04 REV / 1.181E+14 -0.49 1.884E+04 / C4H7CHO1-2+CH3O2 = C4H6CHO1-23+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 2.029E+15 -0.72 2.009E+04 / C4H7CHO1-2+CH3O2 = C4H6CHO1-24+CH3O2H 3.010E+12 0.00 1.938E+04 REV / 1.531E+13 -0.51 6.627E+03 / C4H7CO1-2 = C4H7+CO 1.151E+13 -0.22 1.398E+04 REV / 1.500E+11 0.00 4.810E+03 / C4H6CHO1-23 = CH2CCHCH3+HCO 8.677E+15 -0.45 5.504E+04 REV / 1.000E+11 0.00 1.060E+04 / C4H6CHO1-24 = C2H4+CH2CCHO 6.403E+18 -1.70 4.109E+04 REV / 2.500E+11 0.00 8.600E+03 / C4H7CHO2-2+OH = C4H7CO2-2+H2O 3.370E+12 0.00 -6.160E+02 REV / 5.586E+12 0.02 3.680E+04 / C4H7CHO2-2+OH = C4H6CHO2-21+H2O 8.420E+11 0.00 -7.810E+02 REV / 1.779E+14 -0.64 3.198E+04 / C4H7CHO2-2+OH = C4H6CHO2-24+H2O 8.420E+11 0.00 -7.810E+02 REV / 1.779E+14 -0.64 3.198E+04 / C4H7CHO2-2+OH = CH3CHO+CH3CHCHO 1.000E+11 0.00 0.000E+00 REV / 8.906E+07 2.14 1.348E+04 / C4H7CHO2-2+HO2 = C4H7CO2-2+H2O2 1.000E+12 0.00 1.192E+04 REV / 9.840E+12 -0.31 1.788E+04 / C4H7CHO2-2+HO2 = C4H6CHO2-21+H2O2 1.000E+04 2.55 1.550E+04 REV / 1.254E+07 1.58 1.680E+04 / C4H7CHO2-2+HO2 = C4H6CHO2-24+H2O2 1.000E+04 2.55 1.550E+04 REV / 1.254E+07 1.58 1.680E+04 / C4H7CHO2-2+HO2 = CH3CHO+C2H3CHO+OH 6.030E+09 0.00 7.949E+03 REV / 1.000E+00 0.00 0.000E+00 / C4H7CHO2-2+CH3O2 = C4H7CO2-2+CH3O2H 2.800E+12 0.00 1.360E+04 REV / 1.132E+14 -0.48 1.884E+04 / C4H7CHO2-2+CH3O2 = C4H6CHO2-21+CH3O2H 2.380E+04 2.55 1.649E+04 REV / 1.226E+08 1.40 1.707E+04 / C4H7CHO2-2+CH3O2 = C4H6CHO2-24+CH3O2H 2.380E+04 2.55 1.649E+04 REV / 1.226E+08 1.40 1.707E+04 / C4H7CHO2-2+CH3O2 = CH3CHO+CH3CHCO+CH3O 3.970E+11 0.00 1.705E+04 REV / 1.000E+00 0.00 0.000E+00 / C4H7CO2-2 = C4H7+CO 8.971E+10 -0.92 2.095E+04 REV / 1.500E+11 0.00 4.810E+03 / C4H6CHO2-21 = CH2CCHCH3+HCO 4.000E+14 0.00 1.330E+04 REV / 3.480E+10 0.59 1.382E+04 / C4H6CHO2-24 = CH2CCHCH3+HCO 2.852E+14 -1.58 6.054E+04 REV / 8.000E+10 0.00 1.160E+04 / TC4H9COCH3+OH = TC4H9COCH2+H2O 5.100E+11 0.00 1.192E+03 REV / 6.148E+13 -0.69 2.766E+04 / TC4H9COCH3+OH = TC4H8COCH3+H2O 2.290E+08 1.53 7.750E+02 REV / 4.685E+07 1.52 2.021E+04 / TC4H9COCH3+HO2 = TC4H9COCH2+H2O2 2.380E+04 2.55 1.550E+04 REV / 1.703E+07 1.53 1.050E+04 / TC4H9COCH3+HO2 = TC4H8COCH3+H2O2 3.010E+04 2.55 1.550E+04 REV / 3.655E+04 2.22 3.472E+03 / TC4H9COCH3+CH3O2 = TC4H9COCH2+CH3O2H 3.010E+13 0.00 1.758E+04 REV / 8.851E+16 -1.19 1.186E+04 / TC4H9COCH3+CH3O2 = TC4H8COCH3+CH3O2H 3.010E+04 2.55 1.550E+04 REV / 1.502E+05 2.04 2.752E+03 / TC4H9COCH2 = TC4H9+CH2CO 1.519E+19 -1.74 3.677E+04 REV / 8.000E+10 0.00 9.600E+03 / TC4H8COCH3 = IC4H8+CH3CO 1.384E+22 -2.63 2.745E+04 REV / 8.000E+10 0.00 1.060E+04 / CH2CCHO+OH = CH3CO+HCO 1.000E+12 0.00 0.000E+00 REV / 1.255E+10 0.50 3.931E+04 / CH2CCHO+HO2 = CH2CO+HCO+OH 6.030E+09 0.00 7.949E+03 REV / 0.000E+00 0.00 0.000E+00 / CH2CCHO+CH3O2 = CH2CO+HCO+CH3O 3.970E+11 0.00 1.705E+04 REV / 0.000E+00 0.00 0.000E+00 / FC6H13+HO2 = FC6H13O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.814E+16 -0.77 2.695E+04 / GC6H13+HO2 = GC6H13O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.964E+18 -1.37 2.889E+04 / HC6H13+HO2 = HC6H13O+OH 7.000E+12 0.00 -1.000E+03 REV / 6.058E+15 -0.77 2.695E+04 / FC6H13+CH3O2 = FC6H13O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.772E+18 -1.35 3.171E+04 / GC6H13+CH3O2 = GC6H13O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.918E+20 -1.95 3.366E+04 / HC6H13+CH3O2 = HC6H13O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 5.917E+17 -1.35 3.171E+04 / C7H162-4 = XC7H15+H 1.463E+19 -0.99 1.032E+05 REV / 3.610E+13 0.00 0.000E+00 / C7H162-4 = YC7H15+H 5.717E+20 -1.52 9.863E+04 REV / 3.610E+13 0.00 0.000E+00 / C7H162-4 = ZC7H15+H 2.157E+20 -1.33 1.006E+05 REV / 3.610E+13 0.00 0.000E+00 / C7H162-4 = DC6H13+CH3 8.740E+20 -1.31 8.634E+04 REV / 4.000E+12 0.00 -5.960E+02 / C7H162-4 = IC3H7+IC4H9 4.075E+20 -1.04 8.579E+04 REV / 4.000E+12 0.00 -5.960E+02 / C7H162-4+H = XC7H15+H2 3.760E+05 2.75 6.280E+03 REV / 1.749E+04 2.75 1.055E+04 / C7H162-4+H = YC7H15+H2 1.204E+06 2.40 2.583E+03 REV / 1.434E+03 2.92 1.139E+04 / C7H162-4+H = ZC7H15+H2 1.300E+06 2.40 4.471E+03 REV / 4.103E+03 2.73 1.126E+04 / C7H162-4+CH3 = XC7H15+CH4 1.814E+00 3.65 7.154E+03 REV / 2.205E+00 3.65 1.191E+04 / C7H162-4+CH3 = YC7H15+CH4 1.202E-09 6.36 8.930E+02 REV / 3.739E-11 6.88 1.018E+04 / C7H162-4+CH3 = ZC7H15+CH4 8.400E+04 2.13 7.574E+03 REV / 6.925E+03 2.47 1.485E+04 / C7H162-4+C2H5 = XC7H15+C2H6 2.000E+11 0.00 1.340E+04 REV / 3.200E+11 0.00 1.230E+04 / C7H162-4+C2H5 = YC7H15+C2H6 2.000E+11 0.00 7.900E+03 REV / 3.000E+11 0.00 2.100E+04 / C7H162-4+C2H5 = ZC7H15+C2H6 5.000E+10 0.00 1.040E+04 REV / 1.000E+11 0.00 1.290E+04 / C7H162-4+O = XC7H15+OH 5.394E+07 2.03 5.136E+03 REV / 1.102E+06 2.03 7.313E+03 / C7H162-4+O = YC7H15+OH 7.936E+05 2.40 1.150E+03 REV / 4.151E+02 2.92 7.865E+03 / C7H162-4+O = ZC7H15+OH 5.946E+05 2.44 2.846E+03 REV / 8.242E+02 2.77 7.544E+03 / C7H162-4+OH = XC7H15+H2O 2.108E+10 0.97 1.586E+03 REV / 4.246E+09 0.96 2.101E+04 / C7H162-4+OH = YC7H15+H2O 1.146E+10 0.51 6.300E+01 REV / 1.170E+11 0.51 2.160E+04 / C7H162-4+OH = ZC7H15+H2O 4.680E+07 1.61 -3.500E+01 REV / 6.395E+05 1.94 2.191E+04 / C7H162-4+HO2 = XC7H15+H2O2 3.360E+13 0.00 2.044E+04 REV / 4.017E+13 -0.33 8.407E+03 / C7H162-4+HO2 = YC7H15+H2O2 5.600E+12 0.00 1.601E+04 REV / 1.714E+11 0.19 8.512E+03 / C7H162-4+HO2 = ZC7H15+H2O2 5.600E+12 0.00 1.769E+04 REV / 4.542E+11 0.01 8.175E+03 / C7H162-4+CH3O = XC7H15+CH3OH 6.400E+11 0.00 7.000E+03 REV / 1.200E+10 0.00 9.200E+03 / C7H162-4+CH3O = YC7H15+CH3OH 3.800E+10 0.00 2.800E+03 REV / 1.000E+10 0.00 5.200E+03 / C7H162-4+CH3O = ZC7H15+CH3OH 1.100E+11 0.00 5.000E+03 REV / 8.900E+09 0.00 7.200E+03 / C7H162-4+O2 = XC7H15+HO2 8.400E+13 0.00 5.281E+04 REV / 7.099E+10 0.32 -4.050E+02 / C7H162-4+O2 = YC7H15+HO2 1.400E+13 0.00 4.801E+04 REV / 3.029E+08 0.84 -6.670E+02 / C7H162-4+O2 = ZC7H15+HO2 1.400E+13 0.00 5.016E+04 REV / 8.026E+08 0.66 -5.340E+02 / C7H162-4+C2H3 = XC7H15+C2H4 2.000E+12 0.00 1.800E+04 REV / 2.600E+12 0.00 2.540E+04 / C7H162-4+C2H3 = YC7H15+C2H4 4.000E+11 0.00 1.430E+04 REV / 2.400E+12 0.00 2.300E+04 / C7H162-4+C2H3 = ZC7H15+C2H4 4.000E+11 0.00 1.680E+04 REV / 2.000E+12 0.00 2.420E+04 / C7H162-4+CH3O2 = XC7H15+CH3O2H 3.360E+13 0.00 2.044E+04 REV / 8.366E+13 -0.51 5.387E+03 / C7H162-4+CH3O2 = YC7H15+CH3O2H 2.800E+12 0.00 1.601E+04 REV / 1.784E+11 0.01 5.492E+03 / C7H162-4+CH3O2 = ZC7H15+CH3O2H 5.600E+12 0.00 1.769E+04 REV / 9.458E+11 -0.17 5.155E+03 / C7H162-4+XC7H15O2 = XC7H15+XC7H15O2H 3.360E+13 0.00 2.043E+04 REV / 8.052E+13 -0.51 4.962E+03 / C7H162-4+YC7H15O2 = XC7H15+YC7H15O2H 3.360E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H162-4+ZC7H15O2 = XC7H15+ZC7H15O2H 3.360E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H162-4+XC7H15O2 = YC7H15+XC7H15O2H 5.600E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H162-4+YC7H15O2 = YC7H15+YC7H15O2H 5.600E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H162-4+ZC7H15O2 = YC7H15+ZC7H15O2H 5.600E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H162-4+XC7H15O2 = ZC7H15+XC7H15O2H 5.600E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H162-4+YC7H15O2 = ZC7H15+YC7H15O2H 5.600E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H162-4+ZC7H15O2 = ZC7H15+ZC7H15O2H 5.600E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H162-4+XC7H15 = YC7H15+C7H162-4 3.360E+13 0.00 7.900E+03 REV / 5.000E+12 0.00 1.230E+04 / C7H162-4+XC7H15 = ZC7H15+C7H162-4 5.600E+12 0.00 1.040E+04 REV / 1.600E+11 0.00 1.230E+04 / C7H162-4+YC7H15 = ZC7H15+C7H162-4 5.600E+12 0.00 1.040E+04 REV / 3.300E+11 0.00 7.900E+03 / XC7H15 = C3H6+IC4H9 1.657E+19 -1.62 3.120E+04 REV / 1.000E+11 0.00 9.200E+03 / XC7H15 = DC6H12+CH3 7.537E+15 -0.87 3.053E+04 REV / 1.000E+11 0.00 9.200E+03 / XC7H15 = XC7H14+H 1.220E+17 -0.93 3.639E+04 REV / 2.600E+13 0.00 2.500E+03 / YC7H15 = IC3H7+IC4H8 9.972E+14 -0.52 3.076E+04 REV / 5.000E+10 0.00 9.200E+03 / YC7H15 = XC7H14+H 3.122E+15 -0.41 3.963E+04 REV / 2.600E+13 0.00 1.200E+03 / YC7H15 = YC7H14+H 6.723E+15 -0.59 3.833E+04 REV / 2.600E+13 0.00 2.500E+03 / ZC7H15 = CC6H12+CH3 1.090E+15 -0.70 3.045E+04 REV / 1.000E+11 0.00 9.200E+03 / ZC7H15 = YC7H14+H 1.782E+16 -0.77 3.631E+04 REV / 2.600E+13 0.00 2.500E+03 / XC7H15+O2 = XC7H14+HO2 1.500E-29 0.00 2.000E+03 REV / 2.000E-29 0.00 1.750E+04 / YC7H15+O2 = XC7H14+HO2 6.000E-29 0.00 5.020E+03 REV / 2.000E-29 0.00 1.750E+04 / YC7H15+O2 = YC7H14+HO2 3.000E-29 0.00 3.000E+03 REV / 2.000E-29 0.00 1.750E+04 / ZC7H15+O2 = YC7H14+HO2 3.000E-29 0.00 2.000E+03 REV / 2.000E-29 0.00 1.750E+04 / XC7H15 = YC7H15 3.708E+11 0.00 2.373E+04 REV / 9.491E+09 0.52 2.826E+04 / XC7H14+H = XC7H13+H2 3.376E+05 2.36 2.070E+02 REV / 5.426E+05 2.48 2.505E+04 / YC7H14+H = XC7H13+H2 5.300E+06 2.20 0.000E+00 REV / 1.834E+07 2.14 2.225E+04 / XC7H14+CH3 = XC7H13+CH4 3.690E+00 3.31 4.002E+03 REV / 1.549E+02 3.43 2.933E+04 / YC7H14+CH3 = XC7H13+CH4 4.613E+00 3.10 2.330E+03 REV / 4.171E+02 3.04 2.506E+04 / XC7H14+OH = XC7H13+H2O 2.764E+04 2.64 -1.919E+03 REV / 1.924E+05 2.76 3.808E+04 / YC7H14+OH = XC7H13+H2O 3.070E+02 3.20 -3.500E+03 REV / 4.600E+03 3.14 3.390E+04 / XC7H14+O = XC7H13+OH 1.000E+12 0.00 4.000E+03 REV / 3.000E+12 0.00 1.000E+04 / YC7H14+O = XC7H13+OH 1.000E+12 0.00 4.000E+03 REV / 3.000E+12 0.00 1.000E+04 / XC7H14+OH = CH2O+DC6H13 2.000E+10 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / XC7H14+OH = CH3COCH3+IC4H9 2.000E+10 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / YC7H14+OH = CH3COCH3+IC4H9 2.000E+10 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / XC7H14+O = CH2O+CC6H12 2.000E+10 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / YC7H14+O = CH3COCH3+IC4H8 2.000E+10 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / XC7H13 = C3H6+IC4H7 8.682E-13 -0.96 3.834E+04 REV / 1.000E-19 0.00 9.200E+03 / XC7H14 = IC3H7+IC4H7 1.978E+19 -0.85 7.296E+04 REV / 1.280E+14 -0.35 0.000E+00 / YC7H14 = CH3+IC6H11 8.370E+18 -1.19 7.263E+04 REV / 1.930E+14 -0.32 0.000E+00 / XC7H15O2 = XC7H15+O2 1.247E+20 -1.61 3.567E+04 REV / 4.520E+12 0.00 0.000E+00 / YC7H15O2 = YC7H15+O2 3.408E+23 -2.45 3.721E+04 REV / 3.000E+12 0.00 0.000E+00 / ZC7H15O2 = ZC7H15+O2 2.969E+22 -2.22 3.794E+04 REV / 2.250E+12 0.00 0.000E+00 / XC7H15+XC7H15O2 = XC7H15O+XC7H15O 7.000E+12 0.00 -1.000E+03 REV / 2.743E+13 -0.13 2.975E+04 / XC7H15+YC7H15O2 = XC7H15O+YC7H15O 7.000E+12 0.00 -1.000E+03 REV / 1.889E+13 -0.14 3.056E+04 / XC7H15+ZC7H15O2 = XC7H15O+ZC7H15O 7.000E+12 0.00 -1.000E+03 REV / 5.242E+13 -0.22 2.954E+04 / YC7H15+XC7H15O2 = YC7H15O+XC7H15O 7.000E+12 0.00 -1.000E+03 REV / 7.780E+16 -0.98 3.210E+04 / YC7H15+YC7H15O2 = YC7H15O+YC7H15O 7.000E+12 0.00 -1.000E+03 REV / 5.358E+16 -1.00 3.291E+04 / YC7H15+ZC7H15O2 = YC7H15O+ZC7H15O 7.000E+12 0.00 -1.000E+03 REV / 1.487E+17 -1.07 3.189E+04 / ZC7H15+XC7H15O2 = ZC7H15O+XC7H15O 7.000E+12 0.00 -1.000E+03 REV / 2.507E+16 -0.84 3.181E+04 / ZC7H15+YC7H15O2 = ZC7H15O+YC7H15O 7.000E+12 0.00 -1.000E+03 REV / 1.727E+16 -0.85 3.262E+04 / ZC7H15+ZC7H15O2 = ZC7H15O+ZC7H15O 7.000E+12 0.00 -1.000E+03 REV / 4.790E+16 -0.93 3.160E+04 / XC7H15O2+HO2 = XC7H15O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 4.963E+13 -0.83 3.447E+04 / YC7H15O2+HO2 = YC7H15O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.029E+13 -0.83 3.447E+04 / ZC7H15O2+HO2 = ZC7H15O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 6.495E+13 -0.87 3.449E+04 / XC7H15O2+H2O2 = XC7H15O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / YC7H15O2+H2O2 = YC7H15O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / ZC7H15O2+H2O2 = ZC7H15O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / XC7H15O2+CH3O2 = XC7H15O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / YC7H15O2+CH3O2 = YC7H15O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ZC7H15O2+CH3O2 = ZC7H15O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / XC7H15O2+XC7H15O2 = O2+XC7H15O+XC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / XC7H15O2+YC7H15O2 = XC7H15O+YC7H15O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / XC7H15O2+ZC7H15O2 = XC7H15O+ZC7H15O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / YC7H15O2+YC7H15O2 = O2+YC7H15O+YC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / YC7H15O2+ZC7H15O2 = YC7H15O+ZC7H15O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ZC7H15O2+ZC7H15O2 = O2+ZC7H15O+ZC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / XC7H15O2H = XC7H15O+OH 1.260E+16 0.00 4.250E+04 REV / 1.250E+08 1.74 -3.045E+03 / YC7H15O2H = YC7H15O+OH 7.500E+15 0.00 4.154E+04 REV / 5.056E+07 1.73 -3.195E+03 / ZC7H15O2H = ZC7H15O+OH 9.450E+15 0.00 4.160E+04 REV / 1.369E+08 1.69 -4.175E+03 / XC7H15O = DC6H13+CH2O 1.377E+19 -1.68 1.998E+04 REV / 1.000E+11 0.00 1.190E+04 / YC7H15O = IC4H9+CH3COCH3 2.289E+19 -1.56 1.657E+04 REV / 1.000E+11 0.00 1.190E+04 / ZC7H15O = IC3H7+IC3H7CHO 2.355E+19 -1.47 1.889E+04 REV / 1.000E+11 0.00 1.190E+04 / XC7H15O2 = XC7H14OOH-X1 3.750E+10 0.00 2.440E+04 REV / 9.134E+10 -0.51 8.940E+03 / XC7H15O2 = XC7H14OOH-Y1 1.000E+11 0.00 2.410E+04 REV / 2.063E+09 0.07 1.293E+04 / XC7H15O2 = XC7H14OOH-Z 2.500E+10 0.00 2.085E+04 REV / 2.938E+09 -0.12 7.860E+03 / XC7H15O2 = XC7H14OOH-Y2 1.563E+09 0.00 1.705E+04 REV / 3.224E+07 0.07 5.880E+03 / XC7H15O2 = XC7H14OOH-X2 1.172E+09 0.00 2.555E+04 REV / 2.855E+09 -0.51 1.009E+04 / YC7H15O2 = YC7H14OOH-X1 6.000E+11 0.00 2.940E+04 REV / 1.457E+12 -0.51 1.394E+04 / YC7H15O2 = YC7H14OOH-Z 2.000E+11 0.00 2.685E+04 REV / 2.114E+10 -0.11 1.384E+04 / YC7H15O2 = YC7H14OOH-Y2 1.250E+10 0.00 1.910E+04 REV / 2.789E+08 0.06 7.940E+03 / YC7H15O2 = YC7H14OOH-X2 9.376E+09 0.00 2.235E+04 REV / 2.277E+10 -0.51 6.890E+03 / ZC7H15O2 = ZC7H14OOH-X 1.500E+11 0.00 2.440E+04 REV / 5.104E+11 -0.56 8.970E+03 / ZC7H15O2 = ZC7H14OOH-Y 2.000E+11 0.00 2.410E+04 REV / 8.110E+09 -0.03 1.299E+04 / XC7H14OOH-X1 = X-X1C7H14O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / XC7H14OOH-Y1 = X-Y1C7H14O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / XC7H14OOH-Z = X-ZC7H14O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / XC7H14OOH-Y2 = X-Y2C7H14O+OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / XC7H14OOH-X2 = X-X2C7H14O+OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / YC7H14OOH-X1 = X-Y1C7H14O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / YC7H14OOH-Z = Y-ZC7H14O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / YC7H14OOH-Y2 = Y-YC7H14O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / YC7H14OOH-X2 = X-Y2C7H14O+OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / ZC7H14OOH-X = X-ZC7H14O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / ZC7H14OOH-Y = Y-ZC7H14O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / XC7H14OOH-Y1 = XC7H14+HO2 4.484E+18 -1.79 2.033E+04 REV / 5.754E+11 0.00 1.190E+04 / YC7H14OOH-X1 = XC7H14+HO2 5.565E+22 -2.69 2.212E+04 REV / 5.754E+11 0.00 1.190E+04 / YC7H14OOH-Z = YC7H14+HO2 1.307E+21 -2.47 1.958E+04 REV / 1.442E+11 0.00 9.512E+03 / ZC7H14OOH-Y = YC7H14+HO2 1.543E+20 -2.35 2.019E+04 REV / 1.442E+11 0.00 9.512E+03 / XC7H14OOH-X1 = OH+CH2O+DC6H12 5.000E+13 0.00 2.550E+04 REV / 0.000E+00 0.00 0.000E+00 / XC7H14OOH-Z = OH+CH2O+CC6H12 5.000E+13 0.00 2.550E+04 REV / 0.000E+00 0.00 0.000E+00 / YC7H14OOH-Y2 = OH+CH3COCH3+IC4H8 5.000E+13 0.00 2.550E+04 REV / 0.000E+00 0.00 0.000E+00 / ZC7H14OOH-X = OH+IC3H7CHO+C3H6 5.000E+13 0.00 2.550E+04 REV / 0.000E+00 0.00 0.000E+00 / XC7H14OOH-X1O2 = XC7H14OOH-X1+O2 1.663E+20 -1.65 3.572E+04 REV / 4.520E+12 0.00 0.000E+00 / XC7H14OOH-Y1O2 = XC7H14OOH-Y1+O2 1.325E+24 -2.54 3.750E+04 REV / 3.000E+12 0.00 0.000E+00 / XC7H14OOH-ZO2 = XC7H14OOH-Z+O2 2.580E+22 -2.30 3.802E+04 REV / 2.250E+12 0.00 0.000E+00 / XC7H14OOH-Y2O2 = XC7H14OOH-Y2+O2 1.325E+24 -2.54 3.750E+04 REV / 3.000E+12 0.00 0.000E+00 / XC7H14OOH-X2O2 = XC7H14OOH-X2+O2 1.663E+20 -1.65 3.572E+04 REV / 4.520E+12 0.00 0.000E+00 / YC7H14OOH-X1O2 = YC7H14OOH-X1+O2 1.608E+20 -1.64 3.571E+04 REV / 4.520E+12 0.00 0.000E+00 / YC7H14OOH-ZO2 = YC7H14OOH-Z+O2 2.560E+22 -2.29 3.802E+04 REV / 2.250E+12 0.00 0.000E+00 / YC7H14OOH-Y2O2 = YC7H14OOH-Y2+O2 1.203E+24 -2.53 3.748E+04 REV / 3.000E+12 0.00 0.000E+00 / YC7H14OOH-X2O2 = YC7H14OOH-X2+O2 1.608E+20 -1.64 3.571E+04 REV / 4.520E+12 0.00 0.000E+00 / ZC7H14OOH-XO2 = ZC7H14OOH-X+O2 1.103E+19 -1.47 3.659E+04 REV / 4.520E+12 0.00 0.000E+00 / ZC7H14OOH-YO2 = ZC7H14OOH-Y+O2 3.281E+22 -2.22 3.774E+04 REV / 3.000E+12 0.00 0.000E+00 / XC7H14OOH-X1O2 = C7KET24XX1+OH 2.500E+10 0.00 2.140E+04 REV / 1.841E+04 1.27 4.439E+04 / XC7H14OOH-Y1O2 = C7KET24XY1+OH 2.000E+11 0.00 2.640E+04 REV / 3.995E+05 1.07 4.869E+04 / XC7H14OOH-ZO2 = C7KET24XZ+OH 2.500E+10 0.00 2.140E+04 REV / 1.431E+04 1.21 4.443E+04 / XC7H14OOH-Y2O2 = C7KET24XY2+OH 3.125E+09 0.00 1.935E+04 REV / 1.281E+03 1.26 4.235E+04 / XC7H14OOH-X2O2 = C7KET24XX2+OH 3.906E+08 0.00 2.255E+04 REV / 1.444E+02 1.27 4.554E+04 / ZC7H14OOH-XO2 = C7KET24ZX+OH 1.250E+10 0.00 1.785E+04 REV / 5.214E+03 1.42 4.266E+04 / ZC7H14OOH-YO2 = C7KET24ZY+OH 1.000E+11 0.00 2.385E+04 REV / 5.581E+05 1.10 4.864E+04 / C7KET24XX1 = CH2O+DC5H10CHO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C7KET24XY1 = IC4H9COCH3+HCO+OH 9.500E+15 0.00 4.154E+04 REV / 0.000E+00 0.00 0.000E+00 / C7KET24XZ = IC3H7CHO+CH3CHCHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / C7KET24XY2 = CH3COCH3+IC3H6CHO+OH 9.500E+15 0.00 4.154E+04 REV / 0.000E+00 0.00 0.000E+00 / C7KET24XX2 = CH2O+C5H10CHO5-2+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C7KET24ZX = CH2O+IC3H7COC2H4S+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C7KET24ZY = CH3COCH3+IC3H7CO+OH 9.500E+15 0.00 4.154E+04 REV / 0.000E+00 0.00 0.000E+00 / X-X1C7H14O+OH = DC6H12+HCO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / X-Y1C7H14O+OH = IC3H5CHO+IC3H7+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / X-ZC7H14O+OH = CC6H12+HCO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / X-Y2C7H14O+OH = IC4H8+CH3CHCHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / X-X2C7H14O+OH = C3H6+IC3H6CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / Y-YC7H14O+OH = CH3COCH3+IC4H7+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / Y-ZC7H14O+OH = IC3H5CHO+IC3H7+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / X-X1C7H14O+OH = CH2O+IC6H11+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / X-Y1C7H14O+OH = IC4H8+CH3COCH2+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / X-ZC7H14O+OH = C3H6+IC3H7CO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / X-Y2C7H14O+OH = CH3COCH3+IC4H7+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / X-X2C7H14O+OH = CH2O+IC6H11+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / Y-YC7H14O+OH = CH3COCH3+C4H7+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / Y-ZC7H14O+OH = IC3H6CO+IC3H7+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / X-X1C7H14O+HO2 = DC6H12+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / X-Y1C7H14O+HO2 = IC3H5CHO+IC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / X-ZC7H14O+HO2 = CC6H12+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / X-Y2C7H14O+HO2 = IC4H8+CH3CHCHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / X-X2C7H14O+HO2 = C3H6+IC3H6CHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / Y-YC7H14O+HO2 = CH3COCH3+IC4H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / Y-ZC7H14O+HO2 = IC3H5CHO+IC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / X-X1C7H14O+HO2 = CH2O+IC6H11+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / X-Y1C7H14O+HO2 = IC4H8+CH3COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / X-ZC7H14O+HO2 = C3H6+IC3H7CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / X-Y2C7H14O+HO2 = CH3COCH3+IC4H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / X-X2C7H14O+HO2 = CH2O+IC6H11+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / Y-YC7H14O+HO2 = CH3COCH3+C4H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / Y-ZC7H14O+HO2 = IC3H6CO+IC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / C7H162-4+O2CHO = XC7H15+HO2CHO 3.360E+13 0.00 2.044E+04 REV / 2.293E+03 2.30 3.057E+03 / C7H162-4+O2CHO = YC7H15+HO2CHO 5.600E+12 0.00 1.601E+04 REV / 9.781E+00 2.82 3.173E+03 / C7H162-4+O2CHO = ZC7H15+HO2CHO 5.600E+12 0.00 1.769E+04 REV / 2.592E+01 2.64 2.829E+03 / XC7H15+HO2 = XC7H15O+OH 7.000E+12 0.00 -1.000E+03 REV / 5.433E+15 -0.70 2.687E+04 / YC7H15+HO2 = YC7H15O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.541E+19 -1.55 2.922E+04 / ZC7H15+HO2 = ZC7H15O+OH 7.000E+12 0.00 -1.000E+03 REV / 4.965E+18 -1.40 2.892E+04 / XC7H15+CH3O2 = XC7H15O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 5.307E+17 -1.28 3.163E+04 / YC7H15+CH3O2 = YC7H15O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.505E+21 -2.13 3.398E+04 / ZC7H15+CH3O2 = ZC7H15O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 4.850E+20 -1.98 3.369E+04 / NEOC7H16 = NC7H15+H 4.382E+19 -1.00 1.032E+05 REV / 3.610E+13 0.00 0.000E+00 / NEOC7H16 = OC7H15+H 2.263E+20 -1.34 1.006E+05 REV / 3.610E+13 0.00 0.000E+00 / NEOC7H16 = PC7H15+H 2.263E+20 -1.34 1.006E+05 REV / 3.610E+13 0.00 0.000E+00 / NEOC7H16 = QC7H15+H 1.463E+19 -1.00 1.032E+05 REV / 3.610E+13 0.00 0.000E+00 / NEOC7H16 = BC6H13+CH3 1.783E+23 -1.88 8.504E+04 REV / 4.000E+12 0.00 -5.960E+02 / NEOC7H16 = HC6H13+CH3 6.559E+18 -0.85 8.648E+04 REV / 4.000E+12 0.00 -5.960E+02 / NEOC7H16 = NEOC5H11+C2H5 1.290E+23 -1.88 8.751E+04 REV / 4.000E+12 0.00 -5.960E+02 / NEOC7H16 = TC4H9+NC3H7 2.203E+27 -2.91 8.665E+04 REV / 4.000E+12 0.00 -5.960E+02 / NEOC7H16+H = NC7H15+H2 9.788E+05 2.77 8.147E+03 REV / 1.521E+04 2.76 1.243E+04 / NEOC7H16+H = OC7H15+H2 1.300E+06 2.40 4.471E+03 REV / 3.911E+03 2.74 1.126E+04 / NEOC7H16+H = PC7H15+H2 1.300E+06 2.40 4.471E+03 REV / 3.911E+03 2.74 1.126E+04 / NEOC7H16+H = QC7H15+H2 9.400E+04 2.75 6.280E+03 REV / 4.375E+03 2.75 1.056E+04 / NEOC7H16+CH3 = NC7H15+CH4 1.356E+00 3.65 7.154E+03 REV / 5.504E-01 3.65 1.192E+04 / NEOC7H16+CH3 = OC7H15+CH4 8.400E+04 2.13 7.574E+03 REV / 6.601E+03 2.47 1.485E+04 / NEOC7H16+CH3 = PC7H15+CH4 8.400E+04 2.13 7.574E+03 REV / 6.601E+03 2.47 1.485E+04 / NEOC7H16+CH3 = QC7H15+CH4 4.520E-01 3.65 7.154E+03 REV / 5.496E-01 3.65 1.192E+04 / NEOC7H16+C2H5 = NC7H15+C2H6 1.500E+11 0.00 1.340E+04 REV / 3.200E+11 0.00 1.230E+04 / NEOC7H16+C2H5 = OC7H15+C2H6 5.000E+10 0.00 1.040E+04 REV / 1.000E+11 0.00 1.290E+04 / NEOC7H16+C2H5 = PC7H15+C2H6 5.000E+10 0.00 1.040E+04 REV / 1.000E+11 0.00 1.290E+04 / NEOC7H16+C2H5 = QC7H15+C2H6 5.000E+10 0.00 1.340E+04 REV / 3.200E+11 0.00 1.230E+04 / NEOC7H16+NC7H15 = OC7H15+NEOC7H16 5.000E+10 0.00 1.040E+04 REV / 2.250E+11 0.00 1.230E+04 / NEOC7H16+NC7H15 = PC7H15+NEOC7H16 5.000E+10 0.00 1.040E+04 REV / 2.250E+11 0.00 1.230E+04 / NEOC7H16+NC7H15 = QC7H15+NEOC7H16 7.500E+10 0.00 1.230E+04 REV / 2.250E+11 0.00 1.230E+04 / NEOC7H16+OC7H15 = PC7H15+NEOC7H16 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / NEOC7H16+OC7H15 = QC7H15+NEOC7H16 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / NEOC7H16+PC7H15 = QC7H15+NEOC7H16 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / NEOC7H16+O = NC7H15+OH 4.046E+07 2.03 5.136E+03 REV / 2.761E+05 2.03 7.322E+03 / NEOC7H16+O = OC7H15+OH 5.946E+05 2.44 2.846E+03 REV / 7.856E+02 2.78 7.544E+03 / NEOC7H16+O = PC7H15+OH 5.946E+05 2.44 2.846E+03 REV / 7.856E+02 2.78 7.544E+03 / NEOC7H16+O = QC7H15+OH 1.046E+06 2.42 4.766E+03 REV / 2.138E+04 2.42 6.952E+03 / NEOC7H16+OH = NC7H15+H2O 2.372E+07 1.80 2.981E+02 REV / 1.596E+06 1.80 1.973E+04 / NEOC7H16+OH = OC7H15+H2O 4.680E+07 1.61 -3.500E+01 REV / 6.095E+05 1.95 2.191E+04 / NEOC7H16+OH = PC7H15+H2O 4.680E+07 1.61 -3.500E+01 REV / 6.095E+05 1.95 2.191E+04 / NEOC7H16+OH = QC7H15+H2O 5.270E+09 0.97 1.586E+03 REV / 1.062E+09 0.97 2.102E+04 / NEOC7H16+HO2 = NC7H15+H2O2 2.520E+13 0.00 2.044E+04 REV / 1.006E+13 -0.33 8.416E+03 / NEOC7H16+HO2 = OC7H15+H2O2 5.600E+12 0.00 1.769E+04 REV / 4.330E+11 0.01 8.175E+03 / NEOC7H16+HO2 = PC7H15+H2O2 5.600E+12 0.00 1.769E+04 REV / 4.330E+11 0.01 8.175E+03 / NEOC7H16+HO2 = QC7H15+H2O2 8.400E+12 0.00 2.044E+04 REV / 1.005E+13 -0.33 8.416E+03 / NEOC7H16+CH3O = NC7H15+CH3OH 4.800E+11 0.00 7.000E+03 REV / 1.200E+10 0.00 9.200E+03 / NEOC7H16+CH3O = OC7H15+CH3OH 1.100E+11 0.00 5.000E+03 REV / 8.900E+09 0.00 7.200E+03 / NEOC7H16+CH3O = PC7H15+CH3OH 1.100E+11 0.00 5.000E+03 REV / 8.900E+09 0.00 7.200E+03 / NEOC7H16+CH3O = QC7H15+CH3OH 1.600E+11 0.00 7.000E+03 REV / 1.200E+10 0.00 9.200E+03 / NEOC7H16+O2 = NC7H15+HO2 6.300E+13 0.00 5.281E+04 REV / 1.778E+10 0.32 -3.960E+02 / NEOC7H16+O2 = OC7H15+HO2 1.400E+13 0.00 5.016E+04 REV / 7.651E+08 0.67 -5.340E+02 / NEOC7H16+O2 = PC7H15+HO2 1.400E+13 0.00 5.016E+04 REV / 7.651E+08 0.67 -5.340E+02 / NEOC7H16+O2 = QC7H15+HO2 2.100E+13 0.00 5.281E+04 REV / 1.776E+10 0.32 -3.960E+02 / NEOC7H16+C2H3 = NC7H15+C2H4 1.500E+12 0.00 1.800E+04 REV / 2.600E+12 0.00 2.540E+04 / NEOC7H16+C2H3 = OC7H15+C2H4 4.000E+11 0.00 1.680E+04 REV / 2.000E+12 0.00 2.420E+04 / NEOC7H16+C2H3 = PC7H15+C2H4 4.000E+11 0.00 1.680E+04 REV / 2.000E+12 0.00 2.420E+04 / NEOC7H16+C2H3 = QC7H15+C2H4 5.000E+11 0.00 1.800E+04 REV / 2.600E+12 0.00 2.540E+04 / NEOC7H16+CH3O2 = NC7H15+CH3O2H 2.520E+13 0.00 2.044E+04 REV / 2.095E+13 -0.51 5.396E+03 / NEOC7H16+CH3O2 = OC7H15+CH3O2H 5.600E+12 0.00 1.769E+04 REV / 9.016E+11 -0.16 5.155E+03 / NEOC7H16+CH3O2 = PC7H15+CH3O2H 5.600E+12 0.00 1.769E+04 REV / 9.016E+11 -0.16 5.155E+03 / NEOC7H16+CH3O2 = QC7H15+CH3O2H 8.400E+12 0.00 2.044E+04 REV / 2.092E+13 -0.51 5.396E+03 / NEOC7H16+NC7H15O2 = NC7H15+NC7H15O2H 2.520E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+OC7H15O2 = NC7H15+OC7H15O2H 2.520E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+PC7H15O2 = NC7H15+PC7H15O2H 2.520E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+QC7H15O2 = NC7H15+QC7H15O2H 2.520E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+NC7H15O2 = OC7H15+NC7H15O2H 5.600E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+OC7H15O2 = OC7H15+OC7H15O2H 5.600E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+PC7H15O2 = OC7H15+PC7H15O2H 5.600E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+QC7H15O2 = OC7H15+QC7H15O2H 5.600E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+NC7H15O2 = PC7H15+NC7H15O2H 5.600E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+OC7H15O2 = PC7H15+OC7H15O2H 5.600E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+PC7H15O2 = PC7H15+PC7H15O2H 5.600E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+QC7H15O2 = PC7H15+QC7H15O2H 5.600E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+NC7H15O2 = QC7H15+NC7H15O2H 8.400E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+OC7H15O2 = QC7H15+OC7H15O2H 8.400E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+PC7H15O2 = QC7H15+PC7H15O2H 8.400E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / NEOC7H16+QC7H15O2 = QC7H15+QC7H15O2H 8.400E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / NC7H15 = IC4H8+NC3H7 5.374E+21 -2.32 3.278E+04 REV / 1.500E+11 0.00 1.060E+04 / NC7H15 = AC6H12+CH3 4.688E+17 -1.25 3.148E+04 REV / 1.500E+11 0.00 1.060E+04 / OC7H15 = BC6H12+CH3 1.858E+17 -1.08 3.112E+04 REV / 1.500E+11 0.00 1.060E+04 / OC7H15 = NEOC6H12+CH3 8.900E+13 -0.42 2.970E+04 REV / 1.500E+11 0.00 7.200E+03 / OC7H15 = OC7H14+H 7.239E+15 -0.72 3.820E+04 REV / 2.600E+13 0.00 2.500E+03 / PC7H15 = TC4H9+C3H6 3.515E+21 -2.20 2.812E+04 REV / 1.500E+11 0.00 7.200E+03 / PC7H15 = PC7H14+H 3.320E+15 -0.54 3.875E+04 REV / 2.600E+13 0.00 1.200E+03 / PC7H15 = OC7H14+H 2.784E+15 -0.72 3.820E+04 REV / 1.000E+13 0.00 2.500E+03 / QC7H15 = C2H4+NEOC5H11 8.713E+18 -1.68 2.989E+04 REV / 3.300E+11 0.00 7.200E+03 / QC7H15 = PC7H14+H 5.137E+16 -0.89 3.754E+04 REV / 2.600E+13 0.00 2.500E+03 / OC7H15+O2 = OC7H14+HO2 3.000E-29 0.00 3.000E+03 REV / 2.000E-29 0.00 1.750E+04 / PC7H15+O2 = OC7H14+HO2 3.000E-29 0.00 3.000E+03 REV / 2.000E-29 0.00 1.750E+04 / PC7H15+O2 = PC7H14+HO2 4.500E-29 0.00 5.020E+03 REV / 2.000E-29 0.00 1.750E+04 / QC7H15+O2 = PC7H14+HO2 3.000E-29 0.00 3.000E+03 REV / 2.000E-29 0.00 1.750E+04 / NC7H15 = PC7H15 2.000E+11 0.00 1.810E+04 REV / 9.000E+11 0.00 2.110E+04 / NC7H15 = QC7H15 3.000E+11 0.00 1.410E+04 REV / 9.000E+11 0.00 1.410E+04 / PC7H14+H = PC7H13+H2 1.000E+12 0.00 3.900E+03 REV / 1.000E+12 0.00 1.400E+04 / OC7H14+H = PC7H13+H2 1.000E+12 0.00 3.900E+03 REV / 1.000E+12 0.00 1.400E+04 / PC7H14+CH3 = PC7H13+CH4 2.000E+11 0.00 7.300E+03 REV / 6.000E+11 0.00 1.790E+04 / OC7H14+CH3 = PC7H13+CH4 2.000E+11 0.00 7.300E+03 REV / 6.000E+11 0.00 1.790E+04 / OC7H14+OH = PC7H13+H2O 1.000E+12 0.00 1.230E+03 REV / 1.000E+10 0.00 2.000E+04 / PC7H14+OH = PC7H13+H2O 1.000E+12 0.00 1.230E+03 REV / 1.000E+10 0.00 2.000E+04 / OC7H14+O = PC7H13+OH 1.000E+12 0.00 4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / PC7H14+O = PC7H13+OH 1.000E+12 0.00 4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / OC7H14+OH = C2H5CHO+TC4H9 2.000E+10 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / OC7H14+OH = NEOC5H11+CH3CHO 2.000E+10 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / PC7H14+OH = NEOC5H11+CH3CHO 2.000E+10 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / PC7H14+OH = CH2O+HC6H13 2.000E+10 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / OC7H14+O = TC4H9+HCO+C2H4 2.000E+10 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / PC7H14+O = CH2O+NEOC6H12 2.000E+10 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / PC7H13 = TC4H9+C3H4-A 1.000E+13 0.00 4.500E+04 REV / 1.000E+13 0.00 9.600E+03 / PC7H14 = TC4H9+C3H5-A 5.449E+27 -3.42 7.365E+04 REV / 7.220E+14 -0.75 -1.310E+02 / OC7H14 = IC6H11+CH3 5.781E+20 -1.58 7.130E+04 REV / 1.020E+14 -0.32 -1.310E+02 / NC7H15O2 = NC7H15+O2 1.485E+20 -1.71 3.579E+04 REV / 1.240E+12 0.00 0.000E+00 / OC7H15O2 = OC7H15+O2 2.759E+22 -2.39 3.811E+04 REV / 1.250E+12 0.00 0.000E+00 / PC7H15O2 = PC7H15+O2 2.759E+22 -2.39 3.811E+04 REV / 1.250E+12 0.00 0.000E+00 / QC7H15O2 = QC7H15+O2 5.411E+20 -1.71 3.579E+04 REV / 4.520E+12 0.00 0.000E+00 / NC7H15+NC7H15O2 = NC7H15O+NC7H15O 7.000E+12 0.00 -1.000E+03 REV / 9.743E+13 -0.21 2.943E+04 / NC7H15+OC7H15O2 = NC7H15O+OC7H15O 7.000E+12 0.00 -1.000E+03 REV / 4.876E+13 -0.12 2.903E+04 / NC7H15+PC7H15O2 = NC7H15O+PC7H15O 7.000E+12 0.00 -1.000E+03 REV / 4.876E+13 -0.12 2.903E+04 / NC7H15+QC7H15O2 = NC7H15O+QC7H15O 7.000E+12 0.00 -1.000E+03 REV / 9.741E+13 -0.21 2.943E+04 / OC7H15+NC7H15O2 = OC7H15O+NC7H15O 7.000E+12 0.00 -1.000E+03 REV / 8.991E+15 -0.79 3.135E+04 / OC7H15+OC7H15O2 = OC7H15O+OC7H15O 7.000E+12 0.00 -1.000E+03 REV / 4.500E+15 -0.70 3.095E+04 / OC7H15+PC7H15O2 = OC7H15O+PC7H15O 7.000E+12 0.00 -1.000E+03 REV / 4.500E+15 -0.70 3.095E+04 / OC7H15+QC7H15O2 = OC7H15O+QC7H15O 7.000E+12 0.00 -1.000E+03 REV / 8.989E+15 -0.79 3.135E+04 / PC7H15+NC7H15O2 = PC7H15O+NC7H15O 7.000E+12 0.00 -1.000E+03 REV / 8.991E+15 -0.79 3.135E+04 / PC7H15+OC7H15O2 = PC7H15O+OC7H15O 7.000E+12 0.00 -1.000E+03 REV / 4.500E+15 -0.70 3.095E+04 / PC7H15+PC7H15O2 = PC7H15O+PC7H15O 7.000E+12 0.00 -1.000E+03 REV / 4.500E+15 -0.70 3.095E+04 / PC7H15+QC7H15O2 = PC7H15O+QC7H15O 7.000E+12 0.00 -1.000E+03 REV / 8.989E+15 -0.79 3.135E+04 / QC7H15+NC7H15O2 = QC7H15O+NC7H15O 7.000E+12 0.00 -1.000E+03 REV / 9.739E+13 -0.21 2.943E+04 / QC7H15+OC7H15O2 = QC7H15O+OC7H15O 7.000E+12 0.00 -1.000E+03 REV / 4.874E+13 -0.12 2.903E+04 / QC7H15+PC7H15O2 = QC7H15O+PC7H15O 7.000E+12 0.00 -1.000E+03 REV / 4.874E+13 -0.12 2.903E+04 / QC7H15+QC7H15O2 = QC7H15O+QC7H15O 7.000E+12 0.00 -1.000E+03 REV / 9.736E+13 -0.21 2.943E+04 / NC7H15O2+HO2 = NC7H15O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 4.970E+13 -0.83 3.447E+04 / OC7H15O2+HO2 = OC7H15O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 6.015E+13 -0.85 3.450E+04 / PC7H15O2+HO2 = PC7H15O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 6.015E+13 -0.85 3.450E+04 / QC7H15O2+HO2 = QC7H15O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 4.972E+13 -0.83 3.447E+04 / NC7H15O2+H2O2 = NC7H15O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / OC7H15O2+H2O2 = OC7H15O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / PC7H15O2+H2O2 = PC7H15O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / QC7H15O2+H2O2 = QC7H15O2H+HO2 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / NC7H15O2+CH3O2 = NC7H15O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / OC7H15O2+CH3O2 = OC7H15O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / PC7H15O2+CH3O2 = PC7H15O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / QC7H15O2+CH3O2 = QC7H15O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / NC7H15O2+NC7H15O2 = O2+NC7H15O+NC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / NC7H15O2+OC7H15O2 = O2+NC7H15O+OC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / NC7H15O2+PC7H15O2 = O2+NC7H15O+PC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / NC7H15O2+QC7H15O2 = O2+NC7H15O+QC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / OC7H15O2+OC7H15O2 = O2+OC7H15O+OC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / OC7H15O2+PC7H15O2 = O2+OC7H15O+PC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / OC7H15O2+QC7H15O2 = O2+OC7H15O+QC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / PC7H15O2+PC7H15O2 = O2+PC7H15O+PC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / PC7H15O2+QC7H15O2 = O2+PC7H15O+QC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / QC7H15O2+QC7H15O2 = O2+QC7H15O+QC7H15O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / NC7H15O2H = NC7H15O+OH 1.260E+16 0.00 4.250E+04 REV / 1.129E+08 1.75 -3.265E+03 / OC7H15O2H = OC7H15O+OH 9.450E+15 0.00 4.160E+04 REV / 3.502E+07 1.87 -4.595E+03 / PC7H15O2H = PC7H15O+OH 9.450E+15 0.00 4.160E+04 REV / 3.502E+07 1.87 -4.595E+03 / QC7H15O2H = QC7H15O+OH 1.260E+16 0.00 4.250E+04 REV / 1.128E+08 1.75 -3.265E+03 / NC7H15O = CH2O+BC6H13 1.841E+21 -2.35 1.859E+04 REV / 5.000E+10 0.00 1.190E+04 / OC7H15O = C2H5CHO+TC4H9 3.700E+26 -3.64 2.014E+04 REV / 6.250E+10 0.00 1.290E+04 / PC7H15O = CH3CHO+NEOC5H11 2.849E+22 -2.69 2.172E+04 REV / 5.000E+10 0.00 1.290E+04 / QC7H15O = CH2O+HC6H13 2.028E+17 -1.32 2.003E+04 REV / 5.000E+10 0.00 1.190E+04 / NC7H15O2 = NC7H14OOH-N2 7.500E+10 0.00 2.440E+04 REV / 1.828E+11 -0.51 8.940E+03 / NC7H15O2 = NC7H14OOH-O 2.500E+10 0.00 2.085E+04 REV / 2.335E+09 -0.09 7.830E+03 / NC7H15O2 = NC7H14OOH-P 3.125E+09 0.00 1.905E+04 REV / 2.918E+08 -0.09 6.030E+03 / NC7H15O2 = NC7H14OOH-Q 5.860E+08 0.00 2.555E+04 REV / 1.428E+09 -0.51 1.009E+04 / OC7H15O2 = OC7H14OOH-N 1.125E+11 0.00 2.440E+04 REV / 1.047E+11 -0.53 8.960E+03 / OC7H15O2 = OC7H14OOH-P 2.000E+11 0.00 2.685E+04 REV / 1.455E+10 -0.06 1.380E+04 / OC7H15O2 = OC7H14OOH-Q 3.750E+10 0.00 2.440E+04 REV / 1.046E+11 -0.53 8.960E+03 / PC7H15O2 = PC7H14OOH-N 1.406E+10 0.00 2.235E+04 REV / 1.309E+10 -0.53 6.910E+03 / PC7H15O2 = PC7H14OOH-O 2.000E+11 0.00 2.685E+04 REV / 1.455E+10 -0.06 1.380E+04 / PC7H15O2 = PC7H14OOH-Q 3.000E+11 0.00 2.940E+04 REV / 8.366E+11 -0.53 1.396E+04 / QC7H15O2 = QC7H14OOH-N 1.758E+09 0.00 2.555E+04 REV / 1.430E+09 -0.51 1.009E+04 / QC7H15O2 = QC7H14OOH-O 2.500E+10 0.00 2.085E+04 REV / 2.334E+09 -0.09 7.830E+03 / QC7H15O2 = QC7H14OOH-P 2.000E+11 0.00 2.685E+04 REV / 1.868E+10 -0.09 1.383E+04 / NC7H14OOH-N2 = N-NC7H14O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / NC7H14OOH-O = N-OC7H14O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / NC7H14OOH-P = N-PC7H14O+OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / NC7H14OOH-Q = N-QC7H14O+OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / OC7H14OOH-N = N-OC7H14O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / OC7H14OOH-P = O-PC7H14O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / OC7H14OOH-Q = O-QC7H14O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / PC7H14OOH-N = N-PC7H14O+OH 9.375E+09 0.00 6.000E+03 REV / 0.000E+00 0.00 0.000E+00 / PC7H14OOH-O = O-PC7H14O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / PC7H14OOH-Q = P-QC7H14O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / QC7H14OOH-N = N-QC7H14O+OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / QC7H14OOH-O = O-QC7H14O+OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / QC7H14OOH-P = P-QC7H14O+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / OC7H14OOH-P = OC7H14+HO2 1.636E+20 -2.49 2.420E+04 REV / 1.253E+11 0.00 1.340E+04 / PC7H14OOH-O = OC7H14+HO2 1.636E+20 -2.49 2.420E+04 REV / 1.253E+11 0.00 1.340E+04 / PC7H14OOH-Q = PC7H14+HO2 9.993E+21 -2.78 2.362E+04 REV / 4.355E+11 0.00 1.336E+04 / QC7H14OOH-P = PC7H14+HO2 2.807E+19 -2.02 2.121E+04 REV / 4.355E+11 0.00 1.336E+04 / NC7H14OOH-N2 = OH+CH2O+AC6H12 5.000E+13 0.00 2.550E+04 REV / 0.000E+00 0.00 0.000E+00 / NC7H14OOH-O = OH+CH2O+BC6H12 5.000E+13 0.00 2.550E+04 REV / 0.000E+00 0.00 0.000E+00 / OC7H14OOH-N = OH+C2H5CHO+IC4H8 5.000E+13 0.00 2.550E+04 REV / 0.000E+00 0.00 0.000E+00 / OC7H14OOH-Q = OH+TC4H9CHO+C2H4 5.000E+13 0.00 2.550E+04 REV / 0.000E+00 0.00 0.000E+00 / QC7H14OOH-O = OH+CH2O+NEOC6H12 5.000E+13 0.00 2.550E+04 REV / 0.000E+00 0.00 0.000E+00 / NC7H14OOH-N2O2 = NC7H14OOH-N2+O2 9.198E+19 -1.65 3.572E+04 REV / 1.240E+12 0.00 0.000E+00 / NC7H14OOH-OO2 = NC7H14OOH-O+O2 2.803E+22 -2.34 3.806E+04 REV / 1.750E+12 0.00 0.000E+00 / NC7H14OOH-PO2 = NC7H14OOH-P+O2 2.803E+22 -2.34 3.806E+04 REV / 1.750E+12 0.00 0.000E+00 / NC7H14OOH-QO2 = NC7H14OOH-Q+O2 3.353E+20 -1.65 3.572E+04 REV / 4.520E+12 0.00 0.000E+00 / OC7H14OOH-NO2 = OC7H14OOH-N+O2 5.582E+19 -1.58 3.565E+04 REV / 1.240E+12 0.00 0.000E+00 / OC7H14OOH-PO2 = OC7H14OOH-P+O2 2.100E+22 -2.30 3.802E+04 REV / 1.750E+12 0.00 0.000E+00 / OC7H14OOH-QO2 = OC7H14OOH-Q+O2 2.034E+20 -1.58 3.565E+04 REV / 4.520E+12 0.00 0.000E+00 / PC7H14OOH-NO2 = PC7H14OOH-N+O2 5.582E+19 -1.58 3.565E+04 REV / 1.240E+12 0.00 0.000E+00 / PC7H14OOH-OO2 = PC7H14OOH-O+O2 2.100E+22 -2.30 3.802E+04 REV / 1.750E+12 0.00 0.000E+00 / PC7H14OOH-QO2 = PC7H14OOH-Q+O2 2.034E+20 -1.58 3.565E+04 REV / 4.520E+12 0.00 0.000E+00 / QC7H14OOH-NO2 = QC7H14OOH-N+O2 3.353E+20 -1.65 3.572E+04 REV / 4.520E+12 0.00 0.000E+00 / QC7H14OOH-OO2 = QC7H14OOH-O+O2 2.803E+22 -2.34 3.806E+04 REV / 1.750E+12 0.00 0.000E+00 / QC7H14OOH-PO2 = QC7H14OOH-P+O2 2.803E+22 -2.34 3.806E+04 REV / 1.750E+12 0.00 0.000E+00 / NC7H14OOH-N2O2 = NEOC7KETNN+OH 2.500E+10 0.00 2.140E+04 REV / 4.729E+03 1.27 4.370E+04 / NC7H14OOH-OO2 = NEOC7KETNO+OH 2.500E+10 0.00 2.140E+04 REV / 1.554E+04 1.20 4.376E+04 / NC7H14OOH-PO2 = NEOC7KETNP+OH 3.125E+09 0.00 1.935E+04 REV / 1.942E+03 1.20 4.171E+04 / NC7H14OOH-QO2 = NEOC7KETNQ+OH 3.906E+08 0.00 2.255E+04 REV / 1.473E+02 1.27 4.485E+04 / OC7H14OOH-NO2 = NEOC7KETON+OH 1.250E+10 0.00 1.785E+04 REV / 4.493E+02 1.65 4.314E+04 / OC7H14OOH-PO2 = NEOC7KETOP+OH 1.000E+11 0.00 2.385E+04 REV / 1.324E+04 1.44 4.834E+04 / OC7H14OOH-QO2 = NEOC7KETOQ+OH 1.250E+10 0.00 1.785E+04 REV / 4.496E+02 1.65 4.314E+04 / PC7H14OOH-NO2 = NEOC7KETPN+OH 1.563E+09 0.00 1.605E+04 REV / 4.029E+01 1.72 4.219E+04 / PC7H14OOH-OO2 = NEOC7KETPO+OH 1.000E+11 0.00 2.385E+04 REV / 8.661E+03 1.53 4.914E+04 / PC7H14OOH-QO2 = NEOC7KETPQ+OH 1.000E+11 0.00 2.385E+04 REV / 1.188E+03 1.70 4.999E+04 / QC7H14OOH-NO2 = NEOC7KETQN+OH 3.906E+08 0.00 2.255E+04 REV / 9.121E+01 1.32 4.584E+04 / QC7H14OOH-OO2 = NEOC7KETQO+OH 2.500E+10 0.00 2.140E+04 REV / 4.486E+03 1.36 4.465E+04 / QC7H14OOH-PO2 = NEOC7KETQP+OH 2.000E+11 0.00 2.640E+04 REV / 1.137E+05 1.18 4.887E+04 / NEOC7KETNN = CH2O+C5H10CHO2-2+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7KETNO = C2H5CHO+TC3H6CHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7KETNP = CH3CHO+TC4H8CHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7KETNQ = CH2O+IC5H10CHO-BD+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7KETON = CH2O+TC3H6COC2H5+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7KETOP = CH3CHO+TC4H9CO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7KETOQ = CH2O+TC4H9COCH2+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7KETPN = CH2O+TC3H6CH2COCH3+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7KETPO = TC4H9CHO+CH3CO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7KETPQ = CH2O+NEOC5H11CO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7KETQN = CH2O+BC5H10CHO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7KETQO = TC4H9CHO+CH2CHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7KETQP = NEOC5H11CHO+HCO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / N-NC7H14O+OH = AC6H12+HCO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / N-OC7H14O+OH = BC6H12+HCO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / N-PC7H14O+OH = C3H6+TC3H6CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / N-QC7H14O+OH = C2H4+TC4H8CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / O-PC7H14O+OH = CH3CHCO+TC4H9+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / O-QC7H14O+OH = NEOC6H12+HCO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / P-QC7H14O+OH = C2H3CHO+TC4H9+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / N-NC7H14O+OH = IC6H11+CH2O+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / N-OC7H14O+OH = IC4H8+C2H5CO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / N-PC7H14O+OH = IC4H8+CH3COCH2+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / N-QC7H14O+OH = IC4H8+CH2CH2CHO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / O-PC7H14O+OH = TC4H9CO+C2H4+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / O-QC7H14O+OH = C2H4+TC4H9CO+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / P-QC7H14O+OH = CH2CO+NEOC5H11+H2O 2.500E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / N-NC7H14O+HO2 = AC6H12+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / N-OC7H14O+HO2 = BC6H12+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / N-PC7H14O+HO2 = C3H6+TC3H6CHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / N-QC7H14O+HO2 = C2H4+TC4H8CHO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / O-PC7H14O+HO2 = CH3CHCO+TC4H9+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / O-QC7H14O+HO2 = NEOC6H12+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / P-QC7H14O+HO2 = C2H3CHO+TC4H9+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / N-NC7H14O+HO2 = IC6H11+CH2O+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / N-OC7H14O+HO2 = IC4H8+C2H5CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / N-PC7H14O+HO2 = IC4H8+CH3COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / NEOC7H16+O2CHO = NC7H15+HO2CHO 5.000E+12 0.00 1.770E+04 REV / 5.743E+02 2.30 3.066E+03 / NEOC7H16+O2CHO = OC7H15+HO2CHO 5.000E+12 0.00 1.770E+04 REV / 2.471E+01 2.64 2.829E+03 / NEOC7H16+O2CHO = PC7H15+HO2CHO 5.000E+12 0.00 1.770E+04 REV / 2.471E+01 2.64 2.829E+03 / NEOC7H16+O2CHO = QC7H15+HO2CHO 5.000E+12 0.00 1.770E+04 REV / 5.735E+02 2.30 3.066E+03 / NC7H15+HO2 = NC7H15O+OH 7.000E+12 0.00 -1.000E+03 REV / 2.133E+16 -0.79 2.677E+04 / OC7H15+HO2 = OC7H15O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.968E+18 -1.37 2.868E+04 / PC7H15+HO2 = PC7H15O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.968E+18 -1.37 2.868E+04 / QC7H15+HO2 = QC7H15O+OH 7.000E+12 0.00 -1.000E+03 REV / 2.132E+16 -0.79 2.677E+04 / NC7H15+CH3O2 = NC7H15O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 2.083E+18 -1.37 3.153E+04 / OC7H15+CH3O2 = OC7H15O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.922E+20 -1.95 3.345E+04 / PC7H15+CH3O2 = PC7H15O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.922E+20 -1.95 3.345E+04 / QC7H15+CH3O2 = QC7H15O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 2.082E+18 -1.37 3.153E+04 / IC8H18 = AC8H17+H 1.830E+55 -11.43 1.225E+05 REV / 1.465E+49 -10.43 1.936E+04 / IC8H18 = BC8H17+H 1.820E+55 -11.55 1.198E+05 REV / 2.538E+48 -10.19 1.913E+04 / IC8H18 = CC8H17+H 3.560E+54 -11.38 1.158E+05 REV / 1.429E+47 -9.80 1.846E+04 / IC8H18 = DC8H17+H 3.760E+54 -11.36 1.217E+05 REV / 9.015E+48 -10.36 1.931E+04 / IC8H18 = YC7H15+CH3 7.510E+48 -9.38 9.633E+04 REV / 1.996E+38 -7.52 1.460E+04 / IC8H18 = PC7H15+CH3 1.180E+50 -9.82 9.864E+04 REV / 4.414E+41 -8.49 1.558E+04 / IC8H18 = TC4H9+IC4H9 1.940E+57 -11.84 9.898E+04 REV / 3.190E+41 -8.60 1.564E+04 / IC8H18 = NEOC5H11+IC3H7 5.750E+49 -9.66 9.804E+04 REV / 1.735E+41 -8.48 1.544E+04 / IC8H18+H = AC8H17+H2 7.341E+05 2.77 8.147E+03 REV / 1.108E+04 2.77 1.242E+04 / IC8H18+H = BC8H17+H2 5.736E+05 2.49 4.124E+03 REV / 1.509E+03 2.85 1.089E+04 / IC8H18+H = CC8H17+H2 6.020E+05 2.40 2.583E+03 REV / 4.557E+02 2.98 1.265E+04 / IC8H18+H = DC8H17+H2 1.880E+05 2.75 6.280E+03 REV / 8.500E+03 2.75 1.136E+04 / IC8H18+O = AC8H17+OH 8.550E+03 3.05 3.123E+03 REV / 5.669E+01 3.05 5.305E+03 / IC8H18+O = BC8H17+OH 4.770E+04 2.71 2.106E+03 REV / 5.510E+01 3.07 6.781E+03 / IC8H18+O = CC8H17+OH 3.830E+05 2.41 1.140E+03 REV / 1.273E+02 2.99 9.115E+03 / IC8H18+O = DC8H17+OH 2.853E+05 2.50 3.645E+03 REV / 5.666E+03 2.50 6.627E+03 / IC8H18+OH = AC8H17+H2O 2.630E+07 1.80 2.782E+02 REV / 1.719E+06 1.80 1.971E+04 / IC8H18+OH = BC8H17+H2O 9.000E+05 2.00 -1.133E+03 REV / 1.025E+04 2.36 2.079E+04 / IC8H18+OH = CC8H17+H2O 1.700E+06 1.90 -1.451E+03 REV / 5.572E+03 2.48 2.377E+04 / IC8H18+OH = DC8H17+H2O 1.780E+07 1.80 1.431E+03 REV / 3.485E+06 1.80 2.166E+04 / IC8H18+CH3 = AC8H17+CH4 4.257E-14 8.06 4.154E+03 REV / 1.679E-14 8.06 8.911E+03 / IC8H18+CH3 = BC8H17+CH4 2.705E+04 2.26 7.287E+03 REV / 1.859E+03 2.62 1.454E+04 / IC8H18+CH3 = CC8H17+CH4 6.010E-10 6.36 8.9300E+02 REV / 1.189E-11 6.94 1.144E+04 / IC8H18+CH3 = DC8H17+CH4 1.470E-01 3.87 6.808E+03 REV / 1.736E-01 3.87 1.236E+04 / IC8H18+HO2 = AC8H17+H2O2 2.520E+13 0.00 2.044E+04 REV / 9.778E+12 -0.33 8.404E+03 / IC8H18+HO2 = BC8H17+H2O2 5.600E+12 0.00 1.769E+04 REV / 3.785E+11 0.03 8.148E+03 / IC8H18+HO2 = CC8H17+H2O2 2.800E+12 0.00 1.601E+04 REV / 5.448E+10 0.25 9.775E+03 / IC8H18+HO2 = DC8H17+H2O2 1.680E+13 0.00 2.044E+04 REV / 1.952E+13 -0.33 9.204E+03 / IC8H18+CH3O = AC8H17+CH3OH 4.740E+11 0.00 7.000E+03 REV / 1.200E+10 0.00 9.200E+03 / IC8H18+CH3O = BC8H17+CH3OH 1.095E+11 0.00 5.000E+03 REV / 8.900E+09 0.00 7.200E+03 / IC8H18+CH3O = CC8H17+CH3OH 1.900E+10 0.00 2.800E+03 REV / 1.000E+10 0.00 5.200E+03 / IC8H18+CH3O = DC8H17+CH3OH 3.200E+11 0.00 7.000E+03 REV / 1.200E+10 0.00 9.200E+03 / IC8H18+O2 = AC8H17+HO2 6.300E+13 0.00 5.076E+04 REV / 1.728E+10 0.33 -2.445E+03 / IC8H18+O2 = BC8H17+HO2 1.400E+13 0.00 4.821E+04 REV / 6.689E+08 0.69 -2.502E+03 / IC8H18+O2 = CC8H17+HO2 7.000E+12 0.00 4.606E+04 REV / 9.626E+07 0.91 -1.352E+03 / IC8H18+O2 = DC8H17+HO2 4.200E+13 0.00 5.076E+04 REV / 3.450E+10 0.33 -1.645E+03 / IC8H18+C2H5 = AC8H17+C2H6 1.500E+11 0.00 1.340E+04 REV / 3.200E+11 0.00 1.230E+04 / IC8H18+C2H5 = BC8H17+C2H6 5.000E+10 0.00 1.040E+04 REV / 1.000E+11 0.00 1.290E+04 / IC8H18+C2H5 = CC8H17+C2H6 1.000E+11 0.00 7.900E+03 REV / 3.000E+11 0.00 2.100E+04 / IC8H18+C2H5 = DC8H17+C2H6 1.000E+11 0.00 1.340E+04 REV / 3.200E+11 0.00 1.230E+04 / IC8H18+C2H3 = AC8H17+C2H4 1.500E+12 0.00 1.800E+04 REV / 2.570E+12 0.00 2.540E+04 / IC8H18+C2H3 = BC8H17+C2H4 4.000E+11 0.00 1.680E+04 REV / 2.000E+12 0.00 2.420E+04 / IC8H18+C2H3 = CC8H17+C2H4 2.000E+11 0.00 1.430E+04 REV / 2.500E+12 0.00 2.300E+04 / IC8H18+C2H3 = DC8H17+C2H4 1.000E+12 0.00 1.800E+04 REV / 2.570E+12 0.00 2.540E+04 / AC8H17 = XC7H14+CH3 3.617E+17 -1.27 2.970E+04 REV / 1.000E+11 0.00 1.270E+04 / AC8H17 = IC4H8+IC4H9 1.922E+22 -2.66 2.886E+04 REV / 5.000E+10 0.00 1.060E+04 / BC8H17 = YC7H14+CH3 1.153E+17 -1.09 2.984E+04 REV / 8.500E+10 0.00 1.295E+04 / BC8H17 = OC7H14+CH3 1.142E+15 -0.70 2.637E+04 REV / 1.100E+11 0.00 8.275E+03 / BC8H17 = IC8H16+H 6.408E+15 -0.76 3.706E+04 REV / 1.000E+13 0.00 2.500E+03 / BC8H17+O2 = IC8H16+HO2 1.500E-19 0.00 4.000E+03 REV / 2.000E-19 0.00 1.750E+04 / CC8H17 = IC4H8+TC4H9 3.784E+22 -2.66 3.236E+04 REV / 5.000E+10 0.00 1.260E+04 / CC8H17 = IC8H16+H 1.844E+15 -0.54 4.036E+04 REV / 1.000E+13 0.00 2.500E+03 / CC8H17 = JC8H16+H 8.637E+14 -0.36 3.990E+04 REV / 1.000E+13 0.00 2.500E+03 / CC8H17+O2 = IC8H16+HO2 3.000E-19 0.00 5.000E+03 REV / 2.000E-19 0.00 1.750E+04 / DC8H17 = PC7H14+CH3 8.184E+15 -0.88 2.845E+04 REV / 1.000E+11 0.00 1.020E+04 / DC8H17 = C3H6+NEOC5H11 2.619E+19 -1.75 3.211E+04 REV / 5.000E+10 0.00 1.310E+04 / DC8H17 = JC8H16+H 5.159E+16 -0.94 3.491E+04 REV / 1.000E+13 0.00 2.500E+03 / DC8H17+O2 = JC8H16+HO2 1.500E-19 0.00 4.000E+03 REV / 2.000E-19 0.00 1.750E+04 / ! IC8H16+H = IC8H15+H2 3.700E+13 0.00 3.900E+03 ! REV / 7.441E+14 -0.61 2.151E+04 / ! JC8H16+H = IC8H15+H2 3.700E+13 0.00 3.900E+03 ! REV / 3.485E+14 -0.43 2.105E+04 / ! IC8H16+O = IC8H15+OH 3.700E+13 0.00 3.900E+03 ! REV / 3.268E+14 -0.61 1.942E+04 / ! JC8H16+O = IC8H15+OH 3.700E+13 0.00 3.900E+03 ! REV / 1.530E+14 -0.43 1.896E+04 / ! IC8H16+OH = IC8H15+H2O 3.700E+13 0.00 3.900E+03 ! REV / 3.222E+15 -0.61 3.667E+04 / ! JC8H16+OH = IC8H15+H2O 3.700E+13 0.00 3.900E+03 ! REV / 1.509E+15 -0.43 3.621E+04 / ! IC8H15 = IC4H8+IC4H7-I1 4.511E+24 -2.99 5.401E+04 ! REV / 1.000E+11 0.00 1.060E+04 / IC8H18+CH3O2 = AC8H17+CH3O2H 2.520E+13 0.00 2.044E+04 REV / 2.036E+13 -0.51 5.384E+03 / IC8H18+CH3O2 = BC8H17+CH3O2H 5.600E+12 0.00 1.769E+04 REV / 7.882E+11 -0.14 5.128E+03 / IC8H18+CH3O2 = CC8H17+CH3O2H 2.800E+12 0.00 1.601E+04 REV / 1.134E+11 0.08 6.755E+03 / IC8H18+CH3O2 = DC8H17+CH3O2H 1.680E+13 0.00 2.044E+04 REV / 4.065E+13 -0.51 6.184E+03 / IC8H18+AC8H17O2 = AC8H17+AC8H17O2H 1.814E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+BC8H17O2 = AC8H17+BC8H17O2H 1.814E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+CC8H17O2 = AC8H17+CC8H17O2H 1.814E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+DC8H17O2 = AC8H17+DC8H17O2H 1.814E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+AC8H17O2 = BC8H17+AC8H17O2H 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+BC8H17O2 = BC8H17+BC8H17O2H 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+CC8H17O2 = BC8H17+CC8H17O2H 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+DC8H17O2 = BC8H17+DC8H17O2H 4.032E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+AC8H17O2 = CC8H17+AC8H17O2H 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+BC8H17O2 = CC8H17+BC8H17O2H 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+CC8H17O2 = CC8H17+CC8H17O2H 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+DC8H17O2 = CC8H17+DC8H17O2H 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / AC8H17O2 = AC8H17+O2 3.465E+20 -1.65 3.572E+04 REV / 4.520E+12 0.00 0.000E+00 / BC8H17O2 = BC8H17+O2 1.046E+23 -2.32 3.884E+04 REV / 7.540E+12 0.00 0.000E+00 / CC8H17O2 = CC8H17+O2 3.620E+24 -2.56 3.601E+04 REV / 1.410E+13 0.00 0.000E+00 / DC8H17O2 = DC8H17+O2 3.465E+20 -1.65 3.492E+04 REV / 4.520E+12 0.00 0.000E+00 / AC8H17+AC8H17O2 = AC8H17O+AC8H17O 7.000E+12 0.00 -1.000E+03 REV / 6.479E+13 -0.16 2.936E+04 / AC8H17+BC8H17O2 = AC8H17O+BC8H17O 7.000E+12 0.00 -1.000E+03 REV / 4.991E+13 -0.12 2.823E+04 / AC8H17+CC8H17O2 = AC8H17O+CC8H17O 7.000E+12 0.00 -1.000E+03 REV / 4.354E+13 -0.16 3.017E+04 / AC8H17+DC8H17O2 = AC8H17O+DC8H17O 7.000E+12 0.00 -1.000E+03 REV / 3.252E+13 -0.16 2.936E+04 / BC8H17+AC8H17O2 = BC8H17O+AC8H17O 7.000E+12 0.00 -1.000E+03 REV / 9.035E+15 -0.79 3.135E+04 / BC8H17+BC8H17O2 = BC8H17O+BC8H17O 7.000E+12 0.00 -1.000E+03 REV / 6.960E+15 -0.76 3.022E+04 / BC8H17+CC8H17O2 = BC8H17O+CC8H17O 7.000E+12 0.00 -1.000E+03 REV / 6.071E+15 -0.80 3.216E+04 / BC8H17+DC8H17O2 = BC8H17O+DC8H17O 7.000E+12 0.00 -1.000E+03 REV / 4.535E+15 -0.79 3.135E+04 / CC8H17+AC8H17O2 = CC8H17O+AC8H17O 7.000E+12 0.00 -1.000E+03 REV / 1.458E+17 -1.07 3.046E+04 / CC8H17+BC8H17O2 = CC8H17O+BC8H17O 7.000E+12 0.00 -1.000E+03 REV / 1.123E+17 -1.04 2.933E+04 / CC8H17+CC8H17O2 = CC8H17O+CC8H17O 7.000E+12 0.00 -1.000E+03 REV / 9.797E+16 -1.08 3.127E+04 / CC8H17+DC8H17O2 = CC8H17O+DC8H17O 7.000E+12 0.00 -1.000E+03 REV / 7.317E+16 -1.07 3.046E+04 / DC8H17+AC8H17O2 = DC8H17O+AC8H17O 7.000E+12 0.00 -1.000E+03 REV / 3.252E+13 -0.16 2.856E+04 / DC8H17+BC8H17O2 = DC8H17O+BC8H17O 7.000E+12 0.00 -1.000E+03 REV / 2.505E+13 -0.12 2.743E+04 / DC8H17+CC8H17O2 = DC8H17O+CC8H17O 7.000E+12 0.00 -1.000E+03 REV / 2.185E+13 -0.16 2.937E+04 / DC8H17+DC8H17O2 = DC8H17O+DC8H17O 7.000E+12 0.00 -1.000E+03 REV / 1.632E+13 -0.16 2.856E+04 / AC8H17O2+HO2 = AC8H17O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.404E+13 -0.84 3.448E+04 / BC8H17O2+HO2 = BC8H17O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 4.977E+13 -0.83 3.447E+04 / CC8H17O2+HO2 = CC8H17O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 4.986E+13 -0.83 3.447E+04 / DC8H17O2+HO2 = DC8H17O2H+O2 1.750E+10 0.00 -3.275E+03 REV / 5.406E+13 -0.84 3.448E+04 / H2O2+AC8H17O2 = HO2+AC8H17O2H 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / H2O2+BC8H17O2 = HO2+BC8H17O2H 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / H2O2+CC8H17O2 = HO2+CC8H17O2H 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / H2O2+DC8H17O2 = HO2+DC8H17O2H 2.400E+12 0.00 1.000E+04 REV / 2.400E+12 0.00 1.000E+04 / AC8H17O2+CH3O2 = AC8H17O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC8H17O2+CH3O2 = BC8H17O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / CC8H17O2+CH3O2 = CC8H17O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / DC8H17O2+CH3O2 = DC8H17O+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC8H17O2+AC8H17O2 = O2+AC8H17O+AC8H17O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC8H17O2+BC8H17O2 = AC8H17O+BC8H17O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC8H17O2+CC8H17O2 = AC8H17O+CC8H17O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC8H17O2+DC8H17O2 = AC8H17O+DC8H17O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC8H17O2+BC8H17O2 = O2+BC8H17O+BC8H17O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC8H17O2+CC8H17O2 = BC8H17O+CC8H17O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / BC8H17O2+DC8H17O2 = BC8H17O+DC8H17O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / CC8H17O2+CC8H17O2 = O2+CC8H17O+CC8H17O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / CC8H17O2+DC8H17O2 = CC8H17O+DC8H17O+O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / DC8H17O2+DC8H17O2 = O2+DC8H17O+DC8H17O 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / AC8H17O2H = AC8H17O+OH 1.260E+16 0.00 4.250E+04 REV / 1.058E+08 1.76 -3.275E+03 / BC8H17O2H = BC8H17O+OH 9.450E+15 0.00 4.160E+04 REV / 6.638E+07 1.78 -5.295E+03 / CC8H17O2H = CC8H17O+OH 7.500E+15 0.00 4.154E+04 REV / 4.588E+07 1.74 -3.415E+03 / DC8H17O2H = DC8H17O+OH 1.260E+16 0.00 4.250E+04 REV / 5.310E+07 1.76 -3.275E+03 / AC8H17O = YC7H15+CH2O 1.970E+21 -2.26 1.461E+04 REV / 1.000E+11 0.00 1.190E+04 / BC8H17O = TC4H9+IC3H7CHO 4.579E+26 -3.61 1.557E+04 REV / 1.000E+11 0.00 1.190E+04 / CC8H17O = NEOC5H11+CH3COCH3 9.624E+19 -1.73 1.262E+04 REV / 1.000E+11 0.00 1.190E+04 / DC8H17O = PC7H15+CH2O 2.105E+19 -1.74 1.594E+04 REV / 1.000E+11 0.00 1.190E+04 / AC8H17O2 = AC8H16OOH-A 2.250E+10 0.00 2.440E+04 REV / 5.849E+10 -0.52 9.750E+03 / AC8H17O2 = AC8H16OOH-B 7.500E+09 0.00 2.085E+04 REV / 6.770E+08 -0.09 8.620E+03 / AC8H17O2 = AC8H16OOH-C 4.689E+08 0.00 1.705E+04 REV / 2.035E+07 0.06 6.690E+03 / AC8H17O2 = AC8H16OOH-D 3.516E+08 0.00 2.555E+04 REV / 9.139E+08 -0.52 1.090E+04 / BC8H17O2 = BC8H16OOH-A 3.375E+10 0.00 2.440E+04 REV / 2.646E+10 -0.50 8.940E+03 / BC8H17O2 = BC8H16OOH-C 3.000E+10 0.00 2.410E+04 REV / 2.344E+09 -0.02 1.301E+04 / BC8H17O2 = BC8H16OOH-D 2.250E+10 0.00 2.440E+04 REV / 5.283E+10 -0.50 8.940E+03 / CC8H17O2 = CC8H16OOH-A 4.218E+09 0.00 2.235E+04 REV / 3.393E+09 -0.51 6.890E+03 / CC8H17O2 = CC8H16OOH-B 6.000E+10 0.00 2.685E+04 REV / 6.534E+09 -0.11 1.385E+04 / CC8H17O2 = CC8H16OOH-D 1.800E+11 0.00 2.940E+04 REV / 4.338E+11 -0.51 1.394E+04 / DC8H17O2 = DC8H16OOH-A 5.274E+08 0.00 2.555E+04 REV / 4.577E+08 -0.52 1.010E+04 / DC8H17O2 = DC8H16OOH-B 7.500E+09 0.00 2.085E+04 REV / 6.770E+08 -0.09 7.820E+03 / DC8H17O2 = DC8H16OOH-C 3.000E+10 0.00 2.410E+04 REV / 6.502E+08 0.06 1.294E+04 / DC8H17O2 = DC8H16OOH-D 1.125E+10 0.00 2.440E+04 REV / 2.924E+10 -0.52 8.950E+03 / AC8H16OOH-A = IC8ETERAA+OH 1.000E+11 0.00 1.425E+04 REV / 0.000E+00 0.00 0.000E+00 / AC8H16OOH-B = IC8ETERAB+OH 1.000E+11 0.00 1.425E+04 REV / 0.000E+00 0.00 0.000E+00 / AC8H16OOH-C = IC8ETERAC+OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / AC8H16OOH-D = IC8ETERAD+OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / BC8H16OOH-C = IC8ETERBC+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / BC8H16OOH-A = IC8ETERAB+OH 1.000E+11 0.00 1.425E+04 REV / 0.000E+00 0.00 0.000E+00 / BC8H16OOH-D = IC8ETERBD+OH 1.000E+11 0.00 1.425E+04 REV / 0.000E+00 0.00 0.000E+00 / CC8H16OOH-D = IC8ETERCD+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / CC8H16OOH-B = IC8ETERBC+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / CC8H16OOH-A = IC8ETERAC+OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / DC8H16OOH-C = IC8ETERCD+OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / DC8H16OOH-D = IC8ETERDD+OH 1.000E+11 0.00 1.425E+04 REV / 0.000E+00 0.00 0.000E+00 / DC8H16OOH-B = IC8ETERBD+OH 1.000E+11 0.00 1.425E+04 REV / 0.000E+00 0.00 0.000E+00 / DC8H16OOH-A = IC8ETERAD+OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / BC8H16OOH-C = IC8H16+HO2 2.028E+20 -2.43 2.525E+04 REV / 1.000E+11 0.00 1.290E+04 / CC8H16OOH-D = JC8H16+HO2 1.560E+22 -2.76 1.759E+04 REV / 1.000E+11 0.00 9.600E+03 / CC8H16OOH-B = IC8H16+HO2 1.505E+21 -2.54 2.381E+04 REV / 1.000E+11 0.00 1.290E+04 / DC8H16OOH-C = JC8H16+HO2 2.502E+18 -1.86 1.581E+04 REV / 1.000E+11 0.00 9.600E+03 / AC8H16OOH-AO2 = AC8H16OOH-A+O2 3.251E+20 -1.64 3.492E+04 REV / 4.520E+12 0.00 0.000E+00 / AC8H16OOH-BO2 = AC8H16OOH-B+O2 1.361E+23 -2.36 3.728E+04 REV / 7.540E+12 0.00 0.000E+00 / AC8H16OOH-CO2 = AC8H16OOH-C+O2 3.258E+24 -2.54 3.670E+04 REV / 1.410E+13 0.00 0.000E+00 / AC8H16OOH-DO2 = AC8H16OOH-D+O2 3.251E+20 -1.64 3.492E+04 REV / 4.520E+12 0.00 0.000E+00 / BC8H16OOH-CO2 = BC8H16OOH-C+O2 1.534E+24 -2.44 3.662E+04 REV / 1.410E+13 0.00 0.000E+00 / BC8H16OOH-AO2 = BC8H16OOH-A+O2 2.979E+20 -1.63 3.490E+04 REV / 4.520E+12 0.00 0.000E+00 / BC8H16OOH-DO2 = BC8H16OOH-D+O2 2.980E+20 -1.63 3.490E+04 REV / 4.520E+12 0.00 0.000E+00 / CC8H16OOH-DO2 = CC8H16OOH-D+O2 1.683E+20 -1.65 3.572E+04 REV / 4.520E+12 0.00 0.000E+00 / CC8H16OOH-BO2 = CC8H16OOH-B+O2 1.106E+23 -2.33 3.806E+04 REV / 7.540E+12 0.00 0.000E+00 / CC8H16OOH-AO2 = CC8H16OOH-A+O2 3.355E+20 -1.65 3.572E+04 REV / 4.520E+12 0.00 0.000E+00 / DC8H16OOH-CO2 = DC8H16OOH-C+O2 3.274E+24 -2.54 3.750E+04 REV / 1.410E+13 0.00 0.000E+00 / DC8H16OOH-DO2 = DC8H16OOH-D+O2 1.632E+20 -1.64 3.572E+04 REV / 4.520E+12 0.00 0.000E+00 / DC8H16OOH-BO2 = DC8H16OOH-B+O2 1.362E+23 -2.36 3.808E+04 REV / 7.540E+12 0.00 0.000E+00 / DC8H16OOH-AO2 = DC8H16OOH-A+O2 3.251E+20 -1.64 3.572E+04 REV / 4.520E+12 0.00 0.000E+00 / AC8H16OOH-AO2 = IC8KETAA+OH 7.500E+09 0.00 2.140E+04 REV / 1.374E+03 1.28 4.599E+04 / AC8H16OOH-BO2 = IC8KETAB+OH 7.500E+09 0.00 2.140E+04 REV / 5.091E+03 1.19 4.603E+04 / AC8H16OOH-CO2 = IC8KETAC+OH 9.375E+08 0.00 1.935E+04 REV / 3.672E+02 1.27 4.398E+04 / AC8H16OOH-DO2 = IC8KETAD+OH 1.172E+08 0.00 2.255E+04 REV / 2.147E+01 1.28 4.714E+04 / BC8H16OOH-CO2 = IC8KETBC+OH 3.000E+10 0.00 2.385E+04 REV / 8.995E+03 1.40 4.809E+04 / BC8H16OOH-AO2 = IC8KETBA+OH 3.750E+09 0.00 1.785E+04 REV / 2.495E+02 1.57 4.288E+04 / BC8H16OOH-DO2 = IC8KETBD+OH 3.750E+09 0.00 1.785E+04 REV / 1.252E+02 1.57 4.288E+04 / DC8H16OOH-CO2 = IC8KETDC+OH 6.000E+10 0.00 2.640E+04 REV / 1.135E+05 1.08 5.094E+04 / DC8H16OOH-DO2 = IC8KETDD+OH 7.500E+09 0.00 2.140E+04 REV / 2.603E+03 1.28 4.667E+04 / DC8H16OOH-BO2 = IC8KETDB+OH 7.500E+09 0.00 2.140E+04 REV / 2.628E+03 1.18 4.672E+04 / DC8H16OOH-AO2 = IC8KETDA+OH 1.172E+08 0.00 2.255E+04 REV / 2.040E+01 1.28 4.782E+04 / IC8ETERAA+OH = XC7H14+HCO+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAB+OH = YC7H14+HCO+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAC+OH = IC4H8+TC3H6CHO+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAD+OH = C3H6+TC4H8CHO+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERBC+OH = IC3H5CHO+TC4H9+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERBD+OH = OC7H14+HCO+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERCD+OH = IC3H5CHO+TC4H9+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERDD+OH = C2H3CHO+NEOC5H11+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAA+OH = IC3H5CHO+IC4H9+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAB+OH = IC4H8+IC3H7CO+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAC+OH = CH2O+XC7H13+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAD+OH = IC4H8+IC3H6CHO+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERBC+OH = IC3H6CO+TC4H9+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERBD+OH = C3H6+TC4H9CO+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERCD+OH = CH2O+PC7H13+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERDD+OH = CH2O+PC7H13+H2O 1.250E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAA+HO2 = XC7H14+HCO+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAB+HO2 = YC7H14+HCO+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAC+HO2 = IC4H8+TC3H6CHO+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAD+HO2 = C3H6+TC4H8CHO+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERBC+HO2 = IC3H5CHO+TC4H9+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERBD+HO2 = OC7H14+HCO+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERCD+HO2 = IC3H5CHO+TC4H9+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERDD+HO2 = C2H3CHO+NEOC5H11+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAA+HO2 = IC3H5CHO+IC4H9+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAB+HO2 = IC4H8+IC3H7CO+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAC+HO2 = CH2O+XC7H13+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERAD+HO2 = IC4H8+IC3H6CHO+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERBC+HO2 = IC3H6CO+TC4H9+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERBD+HO2 = C3H6+TC4H9CO+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERCD+HO2 = CH2O+PC7H13+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8ETERDD+HO2 = CH2O+PC7H13+H2O2 2.500E+12 0.00 1.770E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8H18+AC8H17O2 = DC8H17+AC8H17O2H 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+BC8H17O2 = DC8H17+BC8H17O2H 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+CC8H17O2 = DC8H17+CC8H17O2H 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / IC8H18+DC8H17O2 = DC8H17+DC8H17O2H 1.210E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / CC8H17+O2 = JC8H16+HO2 4.500E-19 0.00 5.020E+03 REV / 2.000E-19 0.00 1.750E+04 / ! IC8H16+CH3 = IC8H15+CH4 2.000E+12 0.00 7.300E+03 ! REV / 1.051E+15 -0.61 2.539E+04 / ! JC8H16+CH3 = IC8H15+CH4 2.000E+12 0.00 7.300E+03 ! REV / 4.921E+14 -0.43 2.493E+04 / ! IC8H16+OH = CH3COCH3+NEOC5H11 1.000E+11 0.00 -4.000E+03 ! REV / 0.000E+00 0.00 0.000E+00 / ! JC8H16+OH = CH2O+PC7H15 1.000E+11 0.00 -4.000E+03 ! REV / 0.000E+00 0.00 0.000E+00 / JC8H16+O = CH2O+PC7H14 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / AC8H17 = DC8H17 1.390E+11 0.00 1.540E+04 REV / 4.163E+11 0.00 1.620E+04 / AC8H17 = CC8H17 3.708E+11 0.00 2.040E+04 REV / 1.859E+10 0.58 2.619E+04 / IC8KETAA = CH2O+DC6H12CHO-D+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8KETAB = IC3H7CHO+TC3H6CHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8KETAC = CH3COCH3+TC4H8CHO+OH 9.500E+15 0.00 4.154E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8KETAD = CH2O+DC6H12CHO-B+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8KETBC = CH3COCH3+TC4H9CO+OH 9.500E+15 0.00 4.154E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8KETBA = CH2O+IC3H7COC3H6-T+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8KETBD = CH2O+TC4H9COC2H4S+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8KETDC = NEOC5H11COCH3+HCO+OH 9.500E+15 0.00 4.154E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8KETDD = CH2O+HC6H12CHO+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8KETDB = TC4H9CHO+CH3CHCHO+OH 1.050E+16 0.00 4.160E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8KETDA = BC6H12CHO-D+CH2O+OH 1.500E+16 0.00 4.200E+04 REV / 0.000E+00 0.00 0.000E+00 / AC8H16OOH-A = OH+CH2O+XC7H14 9.087E+17 -1.26 2.858E+04 REV / 0.000E+00 0.00 0.000E+00 / AC8H16OOH-B = OH+CH2O+YC7H14 1.252E+17 -1.08 2.821E+04 REV / 0.000E+00 0.00 0.000E+00 / BC8H16OOH-A = OH+IC3H7CHO+IC4H8 3.118E+21 -2.43 2.633E+04 REV / 0.000E+00 0.00 0.000E+00 / BC8H16OOH-D = OH+TC4H9CHO+C3H6 1.293E+21 -2.20 3.297E+04 REV / 0.000E+00 0.00 0.000E+00 / DC8H16OOH-B = OH+CH2O+OC7H14 1.120E+15 -0.46 3.093E+04 REV / 0.000E+00 0.00 0.000E+00 / DC8H16OOH-D = OH+CH2O+PC7H14 8.013E+15 -0.65 3.089E+04 REV / 0.000E+00 0.00 0.000E+00 / IC8H18+O2CHO = AC8H17+HO2CHO 2.520E+13 0.00 2.044E+04 REV / 5.581E+02 2.30 3.062E+03 / IC8H18+O2CHO = BC8H17+HO2CHO 5.600E+12 0.00 1.769E+04 REV / 2.160E+01 2.66 2.806E+03 / IC8H18+O2CHO = CC8H17+HO2CHO 2.800E+12 0.00 1.601E+04 REV / 3.109E+00 2.88 4.633E+03 / IC8H18+O2CHO = DC8H17+HO2CHO 1.680E+13 0.00 2.044E+04 REV / 1.114E+03 2.30 3.862E+03 / IC6H13CHO-B+OH = IC6H13CO-B+H2O 3.370E+12 0.00 -6.160E+02 REV / 2.572E+12 -0.03 3.095E+04 / IC6H13CHO-B+OH = AC6H12CHO-B+H2O 1.530E+08 1.53 8.775E+03 REV / 3.174E+07 1.52 2.821E+04 / IC6H13CHO-B+OH = CC6H12CHO-B+H2O 4.670E+07 1.61 -3.500E+01 REV / 4.905E+05 1.98 2.186E+04 / IC6H13CHO-B+OH = DC6H12CHO-B+H2O 4.670E+07 1.61 -3.500E+01 REV / 4.905E+05 1.98 2.186E+04 / IC6H13CHO-B+OH = EC6H12CHO-B+H2O 5.270E+09 0.97 1.586E+03 REV / 1.093E+09 0.96 2.102E+04 / IC6H13CHO-B+HO2 = IC6H13CO-B+H2O2 1.000E+12 0.00 1.192E+04 REV / 4.531E+12 -0.36 1.202E+04 / IC6H13CHO-B+HO2 = AC6H12CHO-B+H2O2 5.520E+04 2.55 1.648E+04 REV / 6.797E+04 2.21 4.452E+03 / IC6H13CHO-B+HO2 = CC6H12CHO-B+H2O2 2.475E+04 2.60 1.391E+04 REV / 1.543E+03 2.64 4.342E+03 / IC6H13CHO-B+HO2 = DC6H12CHO-B+H2O2 2.475E+04 2.60 1.391E+04 REV / 1.543E+03 2.64 4.342E+03 / IC6H13CHO-B+HO2 = EC6H12CHO-B+H2O2 2.760E+04 2.55 1.648E+04 REV / 3.398E+04 2.21 4.452E+03 / IC6H13CHO-B+CH3O2 = IC6H13CO-B+CH3O2H 1.000E+12 0.00 1.192E+04 REV / 1.862E+13 -0.53 1.130E+04 / IC6H13CHO-B+CH3O2 = AC6H12CHO-B+CH3O2H 4.760E+04 2.55 1.649E+04 REV / 2.408E+05 2.04 3.746E+03 / IC6H13CHO-B+CH3O2 = CC6H12CHO-B+CH3O2H 1.770E+12 0.00 1.705E+04 REV / 4.535E+11 -0.14 6.764E+03 / IC6H13CHO-B+CH3O2 = DC6H12CHO-B+CH3O2H 1.770E+12 0.00 1.705E+04 REV / 4.535E+11 -0.14 6.764E+03 / IC6H13CHO-B+CH3O2 = EC6H12CHO-B+CH3O2H 6.030E+12 0.00 1.938E+04 REV / 3.051E+13 -0.51 6.627E+03 / IC6H13CO-B = BC6H13+CO 1.164E+21 -2.32 1.100E+04 REV / 1.500E+11 0.00 4.810E+03 / IC6H13CO-B = IC3H6CO+NC3H7 5.078E+20 -1.91 3.872E+04 REV / 1.000E+11 0.00 1.060E+04 / AC6H12CHO-B = AC6H12+HCO 9.365E+18 -1.66 1.983E+04 REV / 1.500E+11 0.00 4.810E+03 / AC6H12CHO-B = IC3H5CHO+NC3H7 4.476E+19 -1.81 2.712E+04 REV / 1.000E+11 0.00 1.060E+04 / CC6H12CHO-B = BC6H12+HCO 6.473E+17 -1.46 2.521E+04 REV / 1.000E+11 0.00 1.060E+04 / DC6H12CHO-B = C3H6+TC3H6CHO 2.730E+17 -1.45 2.102E+04 REV / 1.000E+11 0.00 7.800E+03 / EC6H12CHO-B = C2H4+TC4H8CHO 5.062E+18 -1.57 3.041E+04 REV / 2.500E+11 0.00 7.800E+03 / IC6H13CHO-D+OH = IC6H13CO-D+H2O 3.370E+12 0.00 -6.160E+02 REV / 2.179E+12 0.00 3.092E+04 / IC6H13CHO-D+OH = AC6H12CHO-D+H2O 1.530E+08 1.53 8.775E+03 REV / 3.141E+07 1.52 2.821E+04 / IC6H13CHO-D+OH = BC6H12CHO-D+H2O 1.684E+12 0.00 -7.810E+02 REV / 5.982E+09 0.57 2.314E+04 / IC6H13CHO-D+OH = CC6H12CHO-D+H2O 3.615E+07 1.64 -2.470E+02 REV / 2.545E+05 2.06 2.159E+04 / IC6H13CHO-D+OH = DC6H12CHO-D+H2O 1.684E+12 0.00 -7.810E+02 REV / 1.091E+13 -0.17 2.991E+04 / IC6H13CHO-D+OH = EC6H12CHO-D+H2O 5.270E+09 0.97 1.586E+03 REV / 1.082E+09 0.96 2.102E+04 / IC6H13CHO-D+HO2 = IC6H13CO-D+H2O2 3.000E+12 0.00 1.192E+04 REV / 1.152E+13 -0.33 1.200E+04 / IC6H13CHO-D+HO2 = AC6H12CHO-D+H2O2 4.760E+04 2.55 1.649E+04 REV / 5.801E+04 2.21 4.466E+03 / IC6H13CHO-D+HO2 = BC6H12CHO-D+H2O2 8.000E+10 0.00 1.192E+04 REV / 1.687E+09 0.24 4.382E+03 / IC6H13CHO-D+HO2 = CC6H12CHO-D+H2O2 5.600E+12 0.00 1.770E+04 REV / 2.340E+11 0.09 8.072E+03 / IC6H13CHO-D+HO2 = DC6H12CHO-D+H2O2 8.000E+10 0.00 1.192E+04 REV / 3.075E+12 -0.50 1.115E+04 / IC6H13CHO-D+HO2 = EC6H12CHO-D+H2O2 2.760E+04 2.55 1.648E+04 REV / 3.363E+04 2.21 4.452E+03 / IC6H13CHO-D+CH3O2 = IC6H13CO-D+CH3O2H 2.800E+12 0.00 1.360E+04 REV / 4.417E+13 -0.51 1.295E+04 / IC6H13CHO-D+CH3O2 = AC6H12CHO-D+CH3O2H 4.760E+04 2.55 1.649E+04 REV / 2.384E+05 2.04 3.746E+03 / IC6H13CHO-D+CH3O2 = BC6H12CHO-D+CH3O2H 3.610E+03 2.55 1.053E+04 REV / 3.128E+02 2.62 2.274E+03 / IC6H13CHO-D+CH3O2 = CC6H12CHO-D+CH3O2H 9.640E+03 2.60 1.391E+04 REV / 1.655E+03 2.52 3.562E+03 / IC6H13CHO-D+CH3O2 = DC6H12CHO-D+CH3O2H 3.610E+03 2.55 1.003E+04 REV / 5.703E+05 1.88 8.544E+03 / IC6H13CHO-D+CH3O2 = EC6H12CHO-D+CH3O2H 6.030E+12 0.00 1.938E+04 REV / 3.020E+13 -0.51 6.627E+03 / IC6H13CO-D = DC6H13+CO 3.730E+18 -1.63 1.284E+04 REV / 1.500E+11 0.00 4.810E+03 / IC6H13CO-D = CH3CHCO+IC4H9 3.828E+19 -1.64 3.974E+04 REV / 1.000E+11 0.00 1.060E+04 / AC6H12CHO-D = C3H6+IC3H6CHO 8.430E+18 -1.63 3.260E+04 REV / 1.000E+11 0.00 1.060E+04 / BC6H12CHO-D = IC4H8+CH3CHCHO 1.969E+17 -1.50 2.396E+04 REV / 1.000E+11 0.00 7.800E+03 / CC6H12CHO-D = CC6H12+HCO 2.806E+15 -0.94 2.646E+04 REV / 1.000E+11 0.00 1.060E+04 / DC6H12CHO-D = IC3H5CHO+IC3H7 7.829E+15 -0.60 3.151E+04 REV / 1.000E+11 0.00 8.300E+03 / EC6H12CHO-D = DC6H12+HCO 3.838E+16 -1.19 2.666E+04 REV / 1.000E+11 0.00 1.060E+04 / IC3H7COC3H7-I+OH = IC3H7COC3H6-I+H2O 3.060E+08 1.53 8.775E+03 REV / 3.078E+07 1.53 2.821E+04 / IC3H7COC3H7-I+OH = IC3H7COC3H6-T+H2O 3.368E+12 0.00 -7.810E+02 REV / 1.156E+13 -0.08 2.983E+04 / IC3H7COC3H7-I+HO2 = IC3H7COC3H6-I+H2O2 5.480E+04 2.55 1.550E+04 REV / 3.272E+04 2.22 3.472E+03 / IC3H7COC3H7-I+HO2 = IC3H7COC3H6-T+H2O2 1.600E+11 0.00 1.192E+04 REV / 3.260E+12 -0.41 1.107E+04 / IC3H7COC3H7-I+CH3O2 = IC3H7COC3H6-I+CH3O2H 4.000E+04 2.55 1.550E+04 REV / 9.814E+04 2.04 2.752E+03 / IC3H7COC3H7-I+CH3O2 = IC3H7COC3H6-T+CH3O2H 7.220E+03 2.55 8.032E+03 REV / 6.045E+05 1.97 6.464E+03 / IC3H7COC3H6-I = C3H6+IC3H7CO 1.859E+19 -1.67 2.805E+04 REV / 1.000E+11 0.00 1.060E+04 / IC3H7COC3H6-T = IC3H6CO+IC3H7 1.217E+17 -0.63 4.205E+04 REV / 1.000E+11 0.00 1.190E+04 / TC4H9COC2H5+OH = TC4H8COC2H5+H2O 2.290E+08 1.53 7.750E+02 REV / 4.716E+07 1.52 2.021E+04 / TC4H9COC2H5+OH = TC4H9COC2H4P+H2O 5.720E+09 0.97 1.586E+03 REV / 1.178E+09 0.96 2.102E+04 / TC4H9COC2H5+OH = TC4H9COC2H4S+H2O 8.950E+11 0.00 -2.280E+02 REV / 1.587E+13 -0.22 2.862E+04 / TC4H9COC2H5+HO2 = TC4H8COC2H5+H2O2 3.010E+04 2.55 1.550E+04 REV / 3.679E+04 2.21 3.472E+03 / TC4H9COC2H5+HO2 = TC4H9COC2H4P+H2O2 2.380E+04 2.55 1.649E+04 REV / 2.909E+04 2.21 4.462E+03 / TC4H9COC2H5+HO2 = TC4H9COC2H4S+H2O2 2.000E+11 0.00 8.698E+03 REV / 2.106E+13 -0.55 6.080E+03 / TC4H9COC2H5+CH3O2 = TC4H8COC2H5+CH3O2H 3.010E+04 2.55 1.550E+04 REV / 1.512E+05 2.04 2.752E+03 / TC4H9COC2H5+CH3O2 = TC4H9COC2H4P+CH3O2H 3.010E+12 0.00 1.938E+04 REV / 1.512E+13 -0.51 6.632E+03 / TC4H9COC2H5+CH3O2 = TC4H9COC2H4S+CH3O2H 2.000E+12 0.00 1.525E+04 REV / 8.653E+14 -0.72 1.191E+04 / TC4H8COC2H5 = IC4H8+C2H5CO 2.900E+22 -2.70 2.753E+04 REV / 1.000E+11 0.00 1.060E+04 / TC4H8COC2H5 = IC3H5COC2H5+CH3 2.726E+16 -1.08 2.811E+04 REV / 1.000E+11 0.00 1.060E+04 / TC4H9COC2H4P = C2H4+TC4H9CO 2.701E+17 -1.51 2.611E+04 REV / 2.500E+11 0.00 7.800E+03 / TC4H9COC2H4S = CH3CHCO+TC4H9 4.600E+20 -1.89 3.825E+04 REV / 1.000E+11 0.00 1.060E+04 / NEOC5H11COCH3+OH = NEOC5H11COCH2+H2O 5.100E+11 0.00 1.192E+03 REV / 1.077E+11 -0.01 2.063E+04 / NEOC5H11COCH3+OH = NEOC5H10COCH3+H2O 2.290E+08 1.53 7.750E+02 REV / 4.838E+07 1.52 2.021E+04 / NEOC5H11COCH3+OH = TC4H9CHCOCH3+H2O 8.950E+11 0.00 -2.280E+02 REV / 1.823E+13 -0.24 2.864E+04 / NEOC5H11COCH3+HO2 = TC4H9CHCOCH3+H2O2 2.000E+11 0.00 8.698E+03 REV / 2.419E+13 -0.56 6.100E+03 / NEOC5H11COCH3+HO2 = NEOC5H11COCH2+H2O2 2.380E+04 2.55 1.550E+04 REV / 2.985E+04 2.21 3.472E+03 / NEOC5H11COCH3+HO2 = NEOC5H10COCH3+H2O2 3.010E+04 2.55 1.550E+04 REV / 3.775E+04 2.21 3.472E+03 / NEOC5H11COCH3+CH3O2 = NEOC5H11COCH2+CH3O2H 3.010E+13 0.00 1.758E+04 REV / 1.551E+14 -0.51 4.832E+03 / NEOC5H11COCH3+CH3O2 = NEOC5H10COCH3+CH3O2H 3.010E+04 2.55 1.550E+04 REV / 1.551E+05 2.04 2.752E+03 / NEOC5H11COCH3+CH3O2 = TC4H9CHCOCH3+CH3O2H 2.000E+12 0.00 1.525E+04 REV / 9.939E+14 -0.74 1.193E+04 / NEOC5H11COCH2 = CH2CO+NEOC5H11 7.583E+16 -1.10 3.671E+04 REV / 1.000E+11 0.00 1.190E+04 / NEOC5H10COCH3 = IC4H8+CH3COCH2 1.270E+21 -2.31 2.858E+04 REV / 1.000E+11 0.00 1.060E+04 / NEOC5H10COCH3 = IC4H7COCH3+CH3 2.331E+17 -1.22 3.256E+04 REV / 1.000E+11 0.00 1.060E+04 / TC4H9CHCOCH3 = IC3H6CHCOCH3+CH3 1.896E+18 -1.33 3.413E+04 REV / 1.000E+11 0.00 1.060E+04 / NEOC6H13CHO+OH = NEOC6H13CO+H2O 3.370E+12 0.00 -6.160E+02 REV / 2.399E+12 -0.02 3.094E+04 / NEOC6H13CHO+OH = GC6H12CHO+H2O 4.670E+07 1.61 -3.500E+01 REV / 1.200E+06 1.85 2.199E+04 / NEOC6H13CHO+OH = HC6H12CHO+H2O 4.670E+07 1.61 -3.500E+01 REV / 1.174E+09 1.34 2.887E+04 / NEOC6H13CHO+OH = FC6H12CHO+H2O 1.290E+10 1.05 1.810E+03 REV / 2.531E+09 1.05 2.125E+04 / NEOC6H13CHO+HO2 = NEOC6H13CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.183E+13 -0.35 1.369E+04 / NEOC6H13CHO+HO2 = GC6H12CHO+H2O2 1.475E+04 2.60 1.391E+04 REV / 2.250E+03 2.52 4.472E+03 / NEOC6H13CHO+HO2 = HC6H12CHO+H2O2 8.000E+10 0.00 1.192E+04 REV / 1.194E+13 -0.59 9.362E+03 / NEOC6H13CHO+HO2 = FC6H12CHO+H2O2 1.680E+13 0.00 1.940E+04 REV / 1.956E+13 -0.33 7.372E+03 / NEOC6H13CHO+CH3O2 = NEOC6H13CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 1.737E+13 -0.52 8.872E+03 / NEOC6H13CHO+CH3O2 = GC6H12CHO+CH3O2H 1.990E+12 0.00 1.705E+04 REV / 1.247E+12 -0.26 6.894E+03 / NEOC6H13CHO+CH3O2 = HC6H12CHO+CH3O2H 8.000E+10 0.00 1.192E+04 REV / 4.905E+13 -0.77 8.642E+03 / NEOC6H13CHO+CH3O2 = FC6H12CHO+CH3O2H 1.680E+13 0.00 1.940E+04 REV / 8.039E+13 -0.51 6.652E+03 / NEOC6H13CO = HC6H13+CO 1.820E+16 -1.19 1.337E+04 REV / 1.500E+11 0.00 4.810E+03 / NEOC6H13CO = NEOC5H11+CH2CO 2.040E+17 -1.18 3.720E+04 REV / 1.000E+11 0.00 7.800E+03 / GC6H12CHO = NEOC6H12+HCO 3.453E+14 -0.83 2.546E+04 REV / 1.000E+11 0.00 7.800E+03 / HC6H12CHO = C2H3CHO+TC4H9 6.884E+19 -1.76 2.769E+04 REV / 1.000E+11 0.00 7.800E+03 / FC6H12CHO = IC4H8+CH2CH2CHO 8.235E+22 -2.67 3.277E+04 REV / 1.000E+11 0.00 1.060E+04 / IC4H7COCH3+OH = IC4H7COCH2+H2O 5.100E+11 0.00 1.192E+03 REV / 6.009E+13 -0.69 2.766E+04 / IC4H7COCH3+OH = IC3H5CHCOCH3+H2O 8.450E+11 0.00 -2.280E+02 REV / 1.445E+13 -0.21 2.862E+04 / IC4H7COCH3+OH = AC3H4CH2COCH3+H2O 3.120E+06 2.00 -2.980E+02 REV / 5.431E+08 1.39 3.246E+04 / IC4H7COCH3+HO2 = IC4H7COCH2+H2O2 2.380E+04 2.55 1.469E+04 REV / 1.665E+07 1.53 9.691E+03 / IC4H7COCH3+HO2 = IC3H5CHCOCH3+H2O2 2.000E+11 0.00 8.698E+03 REV / 2.030E+13 -0.54 6.080E+03 / IC4H7COCH3+HO2 = AC3H4CH2COCH3+H2O2 9.640E+03 2.60 1.391E+04 REV / 9.961E+06 1.66 1.521E+04 / IC4H7COCH3+CH3O2 = IC4H7COCH2+CH3O2H 3.010E+12 0.00 1.938E+04 REV / 8.652E+15 -1.19 1.366E+04 / IC4H7COCH3+CH3O2 = IC3H5CHCOCH3+CH3O2H 2.000E+12 0.00 1.525E+04 REV / 8.342E+14 -0.72 1.191E+04 / IC4H7COCH3+CH3O2 = AC3H4CH2COCH3+CH3O2H 3.010E+12 0.00 1.938E+04 REV / 1.278E+16 -1.11 1.995E+04 / IC4H7COCH2 = IC4H7+CH2CO 1.161E+19 -1.76 3.918E+04 REV / 8.000E+10 0.00 8.600E+03 / IC3H5CHCOCH3 = C4H6+CH3CO 4.284E+19 -1.82 3.675E+04 REV / 8.000E+10 0.00 1.300E+04 / AC3H4CH2COCH3 = C3H4-A+CH3COCH2 6.837E+21 -2.47 5.397E+04 REV / 8.000E+10 0.00 9.600E+03 / AC8H16OOH-A = XC7H13OOH-X1+CH3 2.634E+18 -1.40 2.787E+04 REV / 8.500E+10 0.00 1.090E+04 / AC8H16OOH-A = IC4H7OOH+TC4H9 1.418E+25 -3.31 2.618E+04 REV / 8.500E+10 0.00 1.230E+04 / AC8H16OOH-B = YC7H13OOH-X1+CH3 1.008E+17 -1.06 2.760E+04 REV / 8.500E+10 0.00 1.090E+04 / AC8H16OOH-B = OC7H13OOH-N+CH3 3.673E+15 -0.79 2.748E+04 REV / 8.500E+10 0.00 1.020E+04 / BC8H16OOH-A = XC7H13OOH-Z+CH3 2.323E+17 -1.19 2.899E+04 REV / 8.500E+10 0.00 1.060E+04 / BC8H16OOH-D = PC7H13OOH-O+CH3 1.513E+16 -1.12 3.162E+04 REV / 8.500E+10 0.00 9.200E+03 / DC8H16OOH-B = OC7H13OOH-Q+CH3 2.860E+15 -0.68 2.628E+04 REV / 1.000E+11 0.00 9.200E+03 / DC8H16OOH-B = YC7H13OOH-X2+CH3 2.738E+18 -1.25 2.895E+04 REV / 5.000E+10 0.00 1.360E+04 / DC8H16OOH-D = NEOC5H11+AC3H5OOH 1.883E+23 -2.63 2.952E+04 REV / 8.500E+10 0.00 9.200E+03 / AC8H16OOH-C = IC4H8+IC4H8O2H-T 2.370E+25 -4.08 2.596E+04 REV / 5.253E+10 -0.66 4.692E+03 / XC7H13OOH-X1 = XC7H13O-X1+OH 2.021E+20 -1.58 4.771E+04 REV / 2.000E+13 0.00 0.000E+00 / YC7H13OOH-X1 = YC7H13O-X1+OH 4.178E+20 -1.68 4.781E+04 REV / 2.000E+13 0.00 0.000E+00 / OC7H13OOH-N = OC7H13O-N+OH 1.828E+20 -1.51 4.702E+04 REV / 2.000E+13 0.00 0.000E+00 / XC7H13OOH-Z = XC7H13O-Z+OH 3.762E+21 -1.88 4.643E+04 REV / 2.000E+13 0.00 0.000E+00 / PC7H13OOH-O = PC7H13O-O+OH 8.219E+19 -1.17 4.249E+04 REV / 2.000E+13 0.00 0.000E+00 / OC7H13OOH-Q = OC7H13O-Q+OH 4.187E+20 -1.68 4.784E+04 REV / 2.000E+13 0.00 0.000E+00 / YC7H13OOH-X2 = YC7H13O-X2+OH 1.879E+20 -1.52 4.703E+04 REV / 2.000E+13 0.00 0.000E+00 / AC3H5OOH = C3H5O+OH 3.880E+19 -1.46 4.537E+04 REV / 2.000E+13 0.00 0.000E+00 / XC7H13O-X1 = CH2O+IC6H11 1.181E+16 -1.17 5.381E+03 REV / 1.000E+11 0.00 1.190E+04 / YC7H13O-X1 = CH2O+IC6H11 5.183E+15 -0.98 7.977E+03 REV / 1.000E+11 0.00 1.190E+04 / OC7H13O-N = CH2O+IC6H11 1.138E+18 -1.75 2.305E+03 REV / 1.000E+11 0.00 9.600E+03 / XC7H13O-Z = IC3H7CHO+C3H5-T 7.521E+21 -2.40 3.019E+04 REV / 1.000E+11 0.00 1.190E+04 / PC7H13O-O = C2H3CHO+TC4H9 4.556E+21 -2.34 7.565E+03 REV / 1.000E+11 0.00 9.600E+03 / PC7H13O-O = TC4H9CHO+C2H3 8.531E+17 -1.50 2.433E+04 REV / 1.000E+11 0.00 9.600E+03 / OC7H13O-Q = CH2O+NEOC6H11-H 2.715E+16 -0.99 2.951E+04 REV / 1.000E+11 0.00 9.600E+03 / YC7H13O-X2 = CH2O+IC6H11 7.478E+14 -0.96 9.310E+03 REV / 1.000E+11 0.00 1.190E+04 / NEOC6H11-H = C2H2+TC4H9 1.017E+17 -0.99 2.615E+04 REV / 2.000E+11 0.00 7.800E+03 / IC8H18+IC4H6OH = AC8H17+IC4H7OH 7.050E+02 3.30 1.984E+04 REV / 2.768E-01 3.90 6.526E+03 / IC8H18+IC4H6OH = BC8H17+IC4H7OH 1.568E+02 3.30 1.817E+04 REV / 1.072E-02 4.26 7.350E+03 / IC8H18+IC4H6OH = CC8H17+IC4H7OH 8.440E+01 3.30 1.717E+04 REV / 1.661E-03 4.48 9.648E+03 / IC8H18+IC4H6OH = DC8H17+IC4H7OH 4.700E+02 3.30 1.984E+04 REV / 5.526E-01 3.90 7.326E+03 / IC4H6OH+H2O = IC4H7OH+OH 5.195E+08 1.40 3.245E+04 REV / 3.120E+06 2.00 -2.980E+02 / IC4H6OH+CH4 = IC4H7OH+CH3 2.220E+03 2.90 2.375E+04 REV / 2.210E+00 3.50 5.675E+03 / IC4H6OH+C3H6 = IC4H7OH+C3H5-A 4.823E+04 2.54 1.923E+04 REV / 5.750E+02 3.15 1.867E+04 / IC4H6OH+CH3CHO = IC4H7OH+CH3CO 1.303E+09 1.41 1.744E+04 REV / 5.300E+06 2.00 1.624E+04 / C3H5-A+CH2O = C3H6+HCO 6.300E+08 1.90 1.819E+04 REV / 1.097E+08 1.89 1.584E+04 / AC8H17+HO2 = AC8H17O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.392E+16 -0.73 2.670E+04 / BC8H17+HO2 = BC8H17O+OH 7.000E+12 0.00 -1.000E+03 REV / 1.941E+18 -1.37 2.869E+04 / CC8H17+HO2 = CC8H17O+OH 7.000E+12 0.00 -1.000E+03 REV / 3.132E+19 -1.65 2.780E+04 / DC8H17+HO2 = DC8H17O+OH 7.000E+12 0.00 -1.000E+03 REV / 6.985E+15 -0.73 2.590E+04 / AC8H17+CH3O2 = AC8H17O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.359E+18 -1.31 3.147E+04 / BC8H17+CH3O2 = BC8H17O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 1.896E+20 -1.95 3.345E+04 / CC8H17+CH3O2 = CC8H17O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 3.059E+21 -2.22 3.256E+04 / DC8H17+CH3O2 = DC8H17O+CH3O 7.000E+12 0.00 -1.000E+03 REV / 6.823E+17 -1.31 3.067E+04 / CC6H13O = C2H5+IC3H7CHO 8.628E+20 -2.15 2.148E+04 REV / 8.500E+10 0.00 1.290E+04 / OC7H15O = C2H5+TC4H9CHO 4.568E+20 -2.06 2.187E+04 REV / 8.500E+10 0.00 1.290E+04 / BC8H17O = IC3H7+TC4H9CHO 2.977E+18 -1.35 1.635E+04 REV / 6.250E+10 0.00 1.290E+04 / CC6H11O-B = CH3COCH3+C3H5-S 7.180E+17 -1.20 2.837E+04 REV / 1.000E+11 0.00 1.190E+04 / XC7H13+HO2 = XC7H13O-Z+OH 1.000E+13 0.00 0.000E+00 REV / 4.566E+15 -1.11 1.069E+04 / PC7H13+HO2 = PC7H13O-O+OH 1.000E+13 0.00 0.000E+00 REV / 1.027E+16 -1.13 1.580E+04 / XC7H13O-Z = IC3H5CHO+IC3H7 3.141E+16 -0.85 1.254E+04 REV / 1.000E+11 0.00 1.190E+04 / XC7H14OH-Y = XC7H14+OH 6.818E+15 -0.81 2.934E+04 REV / 1.000E+14 -0.50 0.000E+00 / XC7H14OH-Y = IC4H7OH+IC3H7 4.324E+14 -0.40 3.040E+04 REV / 1.000E+11 0.00 7.800E+03 / YC7H14OH-X = XC7H14+OH 5.746E+17 -1.21 3.089E+04 REV / 1.000E+12 0.00 -1.042E+03 / YC7H14OH-X = IC3H5OH+IC4H9 3.869E+21 -2.32 3.086E+04 REV / 1.000E+11 0.00 9.200E+03 / ZC7H14OH-Y = YC7H14+OH 1.906E+16 -0.86 3.026E+04 REV / 1.000E+12 0.00 -1.042E+03 / YC7H14OH-Z = YC7H14+OH 3.608E+16 -0.94 3.067E+04 REV / 1.000E+12 0.00 -1.042E+03 / ZC7H14OH-Y = IC4H7OH-I1+IC3H7 3.870E+16 -2.24 3.101E+04 REV / 1.000E+11 0.00 9.200E+03 / OC7H14OH-P = OC7H14+OH 1.073E+16 -1.00 3.035E+04 REV / 1.000E+12 0.00 -1.042E+03 / PC7H14OH-O = OC7H14+OH 1.073E+16 -1.00 3.035E+04 REV / 1.000E+12 0.00 -1.042E+03 / OC7H14OH-P = C3H5OH+TC4H9 1.521E+24 -3.08 3.653E+04 REV / 1.000E+11 0.00 9.200E+03 / QC7H14OH-P = PC7H14+OH 6.108E+14 -0.54 2.770E+04 REV / 1.000E+12 0.00 -1.042E+03 / QC7H14OH-P = C3H5OH+TC4H9 1.888E+23 -2.81 3.203E+04 REV / 1.000E+11 0.00 9.200E+03 / PC7H14OH-Q = PC7H14+OH 7.601E+16 -1.16 2.969E+04 REV / 1.000E+12 0.00 -1.042E+03 / PC7H14OH-Q = CH3CHO+NEOC5H11 2.303E+20 -2.27 2.079E+04 REV / 1.000E+11 0.00 9.200E+03 / XC7H14OH-YO2 = XC7H14OH-Y+O2 1.632E+22 -2.16 3.473E+04 REV / 2.000E+12 0.00 0.000E+00 / XC7H14OH-YO2 = XC7H14O-YO2H 1.200E+12 0.00 1.890E+04 REV / 1.418E+15 -0.93 3.580E+03 / XC7H14O-YO2H = IC4H9COCH3+CH2O+OH 8.295E+20 -2.15 1.449E+04 REV / 0.000E+00 0.00 0.000E+00 / YC7H14OH-XO2 = YC7H14OH-X+O2 1.871E+18 -1.44 3.430E+04 REV / 1.000E+12 0.00 0.000E+00 / YC7H14OH-XO2 = YC7H14O-XO2H 1.200E+12 0.00 1.890E+04 REV / 1.416E+15 -0.93 3.580E+03 / YC7H14O-XO2H = IC4H9COCH3+CH2O+OH 2.826E+18 -1.47 1.791E+04 REV / 0.000E+00 0.00 0.000E+00 / ZC7H14OH-YO2 = ZC7H14OH-Y+O2 3.488E+21 -2.13 3.470E+04 REV / 2.000E+12 0.00 0.000E+00 / ZC7H14OH-YO2 = ZC7H14O-YO2H 1.200E+12 0.00 1.890E+04 REV / 1.867E+15 -0.97 3.630E+03 / ZC7H14O-YO2H = IC3H7CHO+CH3COCH3+OH 1.893E+23 -2.89 1.434E+04 REV / 0.000E+00 0.00 0.000E+00 / YC7H14OH-ZO2 = YC7H14OH-Z+O2 8.199E+20 -2.01 3.552E+04 REV / 1.500E+12 0.00 0.000E+00 / YC7H14OH-ZO2 = YC7H14O-ZO2H 1.200E+12 0.00 1.890E+04 REV / 1.417E+15 -0.93 3.580E+03 / YC7H14O-ZO2H = IC3H7CHO+CH3COCH3+OH 9.875E+22 -3.05 1.391E+04 REV / 0.000E+00 0.00 0.000E+00 / OC7H14OH-PO2 = OC7H14OH-P+O2 1.354E+21 -2.08 3.556E+04 REV / 1.500E+12 0.00 0.000E+00 / OC7H14OH-PO2 = OC7H14O-PO2H 1.200E+12 0.00 1.890E+04 REV / 1.936E+15 -0.97 3.620E+03 / OC7H14O-PO2H = TC4H9CHO+CH3CHO+OH 1.242E+21 -2.45 1.764E+04 REV / 0.000E+00 0.00 0.000E+00 / PC7H14OH-OO2 = PC7H14OH-O+O2 1.354E+21 -2.08 3.556E+04 REV / 1.500E+12 0.00 0.000E+00 / PC7H14OH-OO2 = PC7H14O-OO2H 1.200E+12 0.00 1.890E+04 REV / 1.936E+15 -0.97 3.620E+03 / PC7H14O-OO2H = TC4H9CHO+CH3CHO+OH 1.778E+21 -2.35 1.651E+04 REV / 0.000E+00 0.00 0.000E+00 / QC7H14OH-PO2 = QC7H14OH-P+O2 5.552E+20 -1.96 3.547E+04 REV / 1.500E+12 0.00 0.000E+00 / QC7H14OH-PO2 = QC7H14O-PO2H 1.200E+12 0.00 1.890E+04 REV / 1.420E+15 -0.93 3.580E+03 / QC7H14O-PO2H = NEOC5H11CHO+CH2O+OH 3.104E+18 -1.60 1.861E+04 REV / 0.000E+00 0.00 0.000E+00 / PC7H14OH-QO2 = PC7H14OH-Q+O2 1.391E+19 -1.62 3.447E+04 REV / 1.000E+12 0.00 0.000E+00 / PC7H14OH-QO2 = PC7H14O-QO2H 1.200E+12 0.00 1.890E+04 REV / 1.905E+15 -0.97 3.630E+03 / PC7H14O-QO2H = NEOC5H11CHO+CH2O+OH 5.870E+16 -0.80 2.088E+04 REV / 0.000E+00 0.00 0.000E+00 / CC8H16OH-B = IC8H16+OH 5.836E+16 -1.01 3.540E+04 REV / 1.000E+12 0.00 -1.042E+03 / BC8H16OH-C = IC8H16+OH 6.328E+15 -0.80 3.488E+04 REV / 1.000E+12 0.00 -1.042E+03 / CC8H16OH-D = JC8H16+OH 8.350E+17 -1.26 3.255E+04 REV / 1.000E+12 0.00 -1.042E+03 / DC8H16OH-C = JC8H16+OH 1.028E+14 -0.36 2.995E+04 REV / 1.000E+12 0.00 -1.042E+03 / BC8H16OH-C = TC4H9+IC4H7OH-I1 6.835E+23 -4.36 3.180E+04 REV / 1.000E+11 0.00 9.200E+03 / CC8H16OH-D = NEOC5H11+IC3H5OH 1.617E+22 -2.49 3.102E+04 REV / 1.000E+11 0.00 9.200E+03 / BC8H16OH-C = TC4H9+IC4H7OH 3.441E+22 -2.64 3.269E+04 REV / 1.000E+11 0.00 9.200E+03 / CC8H16OH-BO2 = CC8H16OH-B+O2 7.675E+20 -2.00 3.551E+04 REV / 1.500E+12 0.00 0.000E+00 / BC8H16OH-CO2 = BC8H16OH-C+O2 1.033E+22 -2.18 3.477E+04 REV / 2.000E+12 0.00 0.000E+00 / CC8H16OH-DO2 = CC8H16OH-D+O2 1.963E+18 -1.45 3.431E+04 REV / 1.000E+12 0.00 0.000E+00 / DC8H16OH-CO2 = DC8H16OH-C+O2 1.638E+22 -2.16 3.473E+04 REV / 2.000E+12 0.00 0.000E+00 / CC8H16OH-BO2 = CC8H16O-BO2H 1.200E+12 0.00 1.890E+04 REV / 1.419E+15 -0.93 3.590E+03 / BC8H16OH-CO2 = BC8H16O-CO2H 1.200E+12 0.00 1.890E+04 REV / 1.382E+15 -0.92 3.580E+03 / CC8H16OH-DO2 = CC8H16O-DO2H 1.200E+12 0.00 1.890E+04 REV / 1.418E+15 -0.93 3.580E+03 / DC8H16OH-CO2 = DC8H16O-CO2H 1.200E+12 0.00 1.890E+04 REV / 1.420E+15 -0.93 3.590E+03 / CC8H16O-BO2H = TC4H9CHO+CH3COCH3+OH 3.861E+23 -3.09 1.300E+04 REV / 0.000E+00 0.00 0.000E+00 / BC8H16O-CO2H = TC4H9CHO+CH3COCH3+OH 1.611E+23 -2.87 1.509E+04 REV / 0.000E+00 0.00 0.000E+00 / CC8H16O-DO2H = NEOC5H11COCH3+CH2O+OH 8.325E+18 -1.47 1.791E+04 REV / 0.000E+00 0.00 0.000E+00 / DC8H16O-CO2H = NEOC5H11COCH3+CH2O+OH 5.850E+20 -2.07 1.688E+04 REV / 0.000E+00 0.00 0.000E+00 / AC8H16OOH-D = C3H6+NEOC5H10OOH 2.023E+19 -1.90 2.883E+04 REV / 1.252E+11 -0.28 9.944E+03 / ! DIISOBUTYLENE REACTIONS: !INITIATION REACTIONS: !JC8H16 = IC4H8 + IC4H8 4.00E+12 0.00 5.74E+04 !TSANG, 1978. RETRO-ENE REACTION, TOUCHARD, FORNET, GLAUDE ET AL., 30TH COMBUSTION SYMPOSIUM, CHICAGO; RICHARD, SCACCHI, ! BACK IJCK 10 (1978) 819-829 ! NO RETRO-ENE RXNS FOUND FOR IC8H16 !TC4H9 + IC4H7 = JC8H16 1.02E+14 -0.32 131.0 !ANALOGY WITH AC3H5+CH3=1C4H8 FROM TSANG, W., PROPENE, J PHYS. CHEM. REF. DATA, 20, P. 221-273 (1991). !(CH3+CH3 AND AC3H5+AC3H5 AND GEOMETRIC MEAN RULE), UNCERNTAINTY 1.5 !XC7H13-Y2 + CH3 = JC8H16 1.63E+13 0.0 -596.0 ! ANALOGY TO CH3+TC4H9=NEOC5H12, TSANG, ISOBUTANE, JPCRD 19:1-68 (1990) !JC8H15-B + H = JC8H16 1.00E+14 0.0 0.0 !TSANG, W., PROPENE, J PHYS. CHEM. REF. DATA, 20, P. 221-273 (1991). (TOTAL RATE OF H+AC3H5 TO C3H6 ! AND TO CH3+C2H3). UNCERTAINITY FACTOR OF 3. MULTIPLY BY 1/2 SINCE THIS IS ONE OF 2 CHANNELS. !JC8H15-D + H = JC8H16 1.00E+14 0.0 0.0 !TSANG, W., PROPENE, J PHYS. CHEM. REF. DATA, 20, P. 221-273 (1991). (TOTAL RATE OF H+AC3H5 TO C3H6 ! AND TO CH3+C2H3). UNCERTAINITY FACTOR OF 3. MULTIPLY BY 1/2 SINCE THIS IS ONE OF 2 CHANNELS. ! YC7H13-Y2 + CH3 = IC8H16 1.02E+14 -0.32 131.0 !TSANG, W. J PHYS. CHEM. REF. DATA, 20, P. 221-273 (1991). !CHEMASTER, INPUT FILE JC8H16_A.INP, 8/29/2005 ! JC8H16 = TC4H9+IC4H7 8.36E+101 -24.98 114143. ! 1.00E+00 ATM, 900-2000 K, 4% ERR JC8H16 = TC4H9+IC4H7 1.13E+92 -21.99 109815. ! 4.00E+00 ATM, 900-2000 K, 7% ERR ! JC8H16 = TC4H9+IC4H7 7.46E+83 -19.57 105613. ! 1.00E+01 ATM, 900-2000 K, 8% ERR ! JC8H16 = TC4H9+IC4H7 9.14E+79 -18.42 103497. ! 1.50E+01 ATM, 900-2000 K, 9% ERR ! JC8H16 = TC4H9+IC4H7 9.18E+72 -16.38 99576. ! 3.00E+01 ATM, 900-2000 K, 9% ERR ! JC8H16 = TC4H9+IC4H7 2.38E+60 -12.72 92194. ! 1.00E+02 ATM, 900-2000 K, 9% ERR ! JC8H16 = XC7H13-Y2+CH3 2.35E+116 -29.10 137020. ! 1.00E+00 ATM, 900-2000 K, 3% ERR JC8H16 = XC7H13-Y2+CH3 2.13E+108 -26.53 135011. ! 4.00E+00 ATM, 900-2000 K, 4% ERR ! JC8H16 = XC7H13-Y2+CH3 3.94E+100 -24.17 131855. ! 1.00E+01 ATM, 900-2000 K, 6% ERR ! JC8H16 = XC7H13-Y2+CH3 4.52E+96 -22.99 130039. ! 1.50E+01 ATM, 900-2000 K, 7% ERR ! JC8H16 = XC7H13-Y2+CH3 1.71E+89 -20.78 126352. ! 3.00E+01 ATM, 900-2000 K, 8% ERR ! JC8H16 = XC7H13-Y2+CH3 4.65E+74 -16.50 118422. ! 1.00E+02 ATM, 900-2000 K, 10% ERR ! JC8H16 = JC8H15-B+H 1.53E+101 -25.51 132165. ! 1.00E+00 ATM, 900-2000 K, 3% ERR JC8H16 = JC8H15-B+H 3.52E+92 -22.80 129512. ! 4.00E+00 ATM, 900-2000 K, 5% ERR ! JC8H16 = JC8H15-B+H 3.69E+84 -20.38 126009. ! 1.00E+01 ATM, 900-2000 K, 7% ERR ! JC8H16 = JC8H15-B+H 3.67E+80 -19.19 124071. ! 1.50E+01 ATM, 900-2000 K, 7% ERR ! JC8H16 = JC8H15-B+H 1.33E+73 -16.98 120237. ! 3.00E+01 ATM, 900-2000 K, 9% ERR ! JC8H16 = JC8H15-B+H 6.95E+58 -12.80 112291. ! 1.00E+02 ATM, 900-2000 K, 10% ERR ! JC8H16 = JC8H15-D+H 4.99E+102 -25.74 135150. ! 1.00E+00 ATM, 900-2000 K, 3% ERR JC8H16 = JC8H15-D+H 2.58E+94 -23.12 132883. ! 4.00E+00 ATM, 900-2000 K, 4% ERR ! JC8H16 = JC8H15-D+H 3.75E+86 -20.73 129585. ! 1.00E+01 ATM, 900-2000 K, 6% ERR ! JC8H16 = JC8H15-D+H 4.02E+82 -19.54 127719. ! 1.50E+01 ATM, 900-2000 K, 7% ERR ! JC8H16 = JC8H15-D+H 1.47E+75 -17.34 123967. ! 3.00E+01 ATM, 900-2000 K, 9% ERR ! JC8H16 = JC8H15-D+H 4.99E+60 -13.09 116020. ! 1.00E+02 ATM, 900-2000 K, 10% ERR ! JC8H16 = IC4H8+IC4H8 4.19E+34 -7.06 57683. ! 1.00E+00 ATM, 900-2000 K, 6% ERR JC8H16 = IC4H8+IC4H8 3.96E+27 -5.02 53633. ! 4.00E+00 ATM, 900-2000 K, 7% ERR ! JC8H16 = IC4H8+IC4H8 5.35E+22 -3.61 50714. ! 1.00E+01 ATM, 900-2000 K, 7% ERR ! JC8H16 = IC4H8+IC4H8 3.94E+20 -2.99 49416. ! 1.50E+01 ATM, 900-2000 K, 6% ERR ! JC8H16 = IC4H8+IC4H8 1.09E+17 -1.97 47224. ! 3.00E+01 ATM, 900-2000 K, 6% ERR ! JC8H16 = IC4H8+IC4H8 2.28E+11 -0.34 43670. ! 1.00E+02 ATM, 900-2000 K, 4% ERR !CHEMASTER, INPUT FILE IC8H16_J.INP, 2/19/2005 !IC8H16 = YC7H13-Y2+CH3 1.73E+82 -19.27 108945. ! 1.00E+00 ATM, 900-2000 K, 11% ERR IC8H16 = YC7H13-Y2+CH3 7.05E+66 -14.79 100101. ! 4.00E+00 ATM, 900-2000 K, 11% ERR !IC8H16 = YC7H13-Y2+CH3 3.09E+56 -11.79 93882. ! 1.00E+01 ATM, 900-2000 K, 10% ERR !IC8H16 = YC7H13-Y2+CH3 1.06E+52 -10.51 91151. ! 1.50E+01 ATM, 900-2000 K, 9% ERR !IC8H16 = YC7H13-Y2+CH3 6.09E+44 -8.42 86668. ! 3.00E+01 ATM, 900-2000 K, 8% ERR ! IC8H15-D=JC8H15-B BECAUSE THEY ARE RESONANT STRUCTURES ! JC8H15-B + H = IC8H16 1.00E+14 0.0 0.0 !TSANG, W., PROPENE, J PHYS. CHEM. REF. DATA, 20, P. 221-273 (1991). (TOTAL RATE OF H+AC3H5 TO C3H6 ! AND TO CH3+C2H3). UNCERTAINITY FACTOR OF 3. MULTIPLY BY 1/2 SINCE THIS IS ONE OF 2 CHANNELS. !IC8H16 = JC8H15-B+H 5.70E+85 -20.57 127376. ! 1.00E+00 ATM, 900-2000 K, 10% ERR IC8H16 = JC8H15-B+H 8.34E+68 -15.63 118186. ! 4.00E+00 ATM, 900-2000 K, 12% ERR !IC8H16 = JC8H15-B+H 8.60E+56 -12.14 111208. ! 1.00E+01 ATM, 900-2000 K, 11% ERR !IC8H16 = JC8H15-B+H 3.95E+51 -10.60 108019. ! 1.50E+01 ATM, 900-2000 K, 11% ERR !IC8H16 = JC8H15-B+H 5.20E+42 -8.03 102622. ! 3.00E+01 ATM, 900-2000 K, 9% ERR !IC8H16 = JC8H15-B+H 1.03E+27 -3.52 92807. ! 1.00E+02 ATM, 900-2000 K, 4% ERR ! BREAKING OF PRIMARY C-H BONDS IS NEGLECTED. ! DIB REACTION WITH O2: JC8H16 + O2 = JC8H15-B + HO2 6.20E+08 1.301 38339.0 ! 2/3 OF ISOBUT+O2 (CHEN&BOZ JPC A 2000,104,P9715). EA REDUCED BY 2.6 KCAL (DIFFERENCE BETWEEN ! ALLYLIC PRIMARY AND ALLYLIC SECONDARY, JC8H16 + O2 = JC8H15-D + HO2 9.30E+08 1.301 40939.0 ! 1/2 OF ISOBUT+O2, CHEN&BOZ JPC A 2000,104,P9715 IC8H16 + O2 = JC8H15-B + HO2 1.86E+09 1.301 40939.0 ! ANALOGY WITH ISOBUT+O2, CHEN&BOZ JPC A 2000,104,P9715 ! ABSTRACTION REACTIONS: JC8H16 + OH = JC8H15-A + H2O 2.63E+07 1.80 278.2 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002) JC8H16 + OH = JC8H15-B + H2O 3.17E+06 2.00 -1434.0 ! RATE RULE FOR SECONDARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, ! IJCK 34:666-677 2002). ESTIMATED UNCERTAINTY FACTOR = 1.5 JC8H16 + OH = JC8H15-D + H2O 3.00E+06 2.00 -239.0 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! ESTIMATED UNCERTAINTY FACTOR = 1.5 IC8H16 + OH = IC8H15-A + H2O 2.63E+07 1.80 278.2 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002) IC8H16 + OH = JC8H15-B + H2O 6.00E+06 2.00 -239.0 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! ESTIMATED UNCERTAINTY=1.5 ! JC8H16 + H = JC8H15-A + H2 7.34E+05 2.77 8147.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002) JC8H16 + H = JC8H15-B + H2 5.02E+04 2.50 -1912.0 ! RATE RULE FOR SECONDARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! ESTIMATED UNCERTAINTY FACTOR = 1.5 JC8H16 + H = JC8H15-D + H2 1.89E+05 2.50 2390.1 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! RATE RULE FROM TSANG 1991. ESTIMATED UNCERTAINTY FACTOR = 1.5 IC8H16 + H = IC8H15-A + H2 7.34E+05 2.77 8147.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002) IC8H16 + H = JC8H15-B + H2 3.79E+05 2.50 2390.1 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! RATE RULE FROM TSANG 1991. ESTIMATED UNCERTAINTY FACTOR = 1.5 ! JC8H16 + HO2 = JC8H15-A + H2O2 8.10E+04 2.50 16690.8 ! RATE RULE FOR PRIMARY C3 AND C4 ALKANES IN SCOTT AND WALKER, ADDITION OF TOLUENE, COMBUSTION AND ! FLAME 129:365–377 (2002). THIS RATE RULE AGREES REASONABLY WITH RULE IN CURRAN ET AL. ! COMB FLAME 129:253-280(2002). JC8H16 + HO2 = JC8H15-B + H2O2 6.80E+03 2.50 10113.8 ! RATE RULE FOR SECONARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, ! COMBUSTION AND FLAME 129:365–377 (2002). ESTIMATED BASED ON ETHYLBENZENE+HO2 JC8H16 + HO2 = JC8H15-D + H2O2 1.02E+04 2.50 12339.3 ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, ! COMBUSTION AND FLAME 129:365–377 (2002). BASED ON TOLUENE+HO2 IC8H16 + HO2 = IC8H15-A + H2O2 8.10E+04 2.50 16690.8 ! RATE RULE FOR PRIMARY C3 AND C4 ALKANES IN SCOTT AND WALKER, ADDITION OF TOLUENE, ! COMBUSTION AND FLAME 129:365–377 (2002). THIS RATE RULE AGREES REASONABLY WITH RULE IN ! CURRAN ET AL. COMB FLAME 129:253-280(2002) IC8H16 + HO2 = JC8H15-B + H2O2 2.04E+04 2.50 12339.3 ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, COMBUSTION AND FLAME ! 129:365–377 (2002). BASED ON TOLUENE+HO2 JC8H16 + CH3 = JC8H15-A + CH4 4.26E-14 8.06 4154.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002) JC8H16 + CH3 = JC8H15-B + CH4 1.00E-01 3.50 4046.1 ! WJP: USED PRIMARY RATE RULE FROM ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, ! IJCK 34:666-677 2002). LOWERED EA BY 0.65(BD PRIMARY ALLYLLIC - SECONDARY ALLYLLIC). ! 0.65 IS FOR CH3 ABSTRACTIONS REACTIONS FROM DEAN AND BOZZELLI COMBUSTION CHEMISTRY OF NITROGEN, 1997. ! ESTIMATED UNCERTAINTY FACTOR = 3 JC8H16 + CH3 = JC8H15-D + CH4 1.50E-01 3.50 5736.1 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! RATE RULE FROM TSANG 1991. IC8H16 + CH3 = IC8H15-A + CH4 4.26E-14 8.06 4154.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002) IC8H16 + CH3 = JC8H15-B + CH4 3.01E-01 3.50 5736.1 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! RATE RULE FROM TSANG 1991. JC8H16 + CH3O2 = JC8H15-A + CH3O2H 8.10E+04 2.50 16691.0 ! ANALOGY WITH HO2. RATE RULE FOR PRIMARY C3 AND C4 ALKANES IN SCOTT AND WALKER, ADDITION OF TOLUENE, ! COMBUSTION AND FLAME 129:365–377 (2002). THIS RATE RULE AGREES REASONABLY WITH RULE IN ! CURRAN ET AL. COMB FLAME 129:253-280(2002). JC8H16 + CH3O2 = JC8H15-B + CH3O2H 6.80E+03 2.50 10113.8 ! RATE RULE FOR SECONARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, ! COMBUSTION AND FLAME 129:365–377 (2002). ESTIMATED BASED ON ETHYLBENZENE+HO2 JC8H16 + CH3O2 = JC8H15-D + CH3O2H 1.02E+04 2.50 12339.3 ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, ! COMBUSTION AND FLAME 129:365–377 (2002). BASED ON TOLUENE+HO2 IC8H16 + CH3O2 = IC8H15-A + CH3O2H 8.10E+04 2.50 16690.8 ! ANALOGY WITH HO2. RATE RULE FOR PRIMARY C3 AND C4 ALKANES IN SCOTT AND WALKER, ADDITION OF TOLUENE, ! COMBUSTION AND FLAME 129:365–377 (2002). THIS RATE RULE AGREES REASONABLY WITH RULE IN ! CURRAN ET AL. COMB FLAME 129:253-280(2002) IC8H16 + CH3O2 = JC8H15-B + CH3O2H 2.04E+04 2.50 12339.3 ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, ! COMBUSTION AND FLAME 129:365–377 (2002). BASED ON TOLUENE+HO2 ! JC8H16 + CH3O = JC8H15-A + CH3OH 4.74E+11 0.00 7000.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002). JC8H16 + CH3O = JC8H15-B + CH3OH 4.23E+10 0.00 2400.0 ! USED SECONDARY ALKYL H RATE. REDUCE EA BY DIFFERENCE BETWEEN BD FOR SECONARY ALKYL AND SECONDARY ! ALLYLIC WITH F=.2: 0.2(98.4-85.6)=.2*12.8=2.6 EST. F IS LARGER THAN OH WHICH IS 0.1. ! REDUCED A FACTOR BY 2.6 FOR TYING UP ROTOR (USED SCOTT AND WALKERS, C&F2002 A-FACTORS TO GET 2.6) JC8H16 + CH3O = JC8H15-D + CH3OH 6.35E+10 0.00 3000.0 ! USED SECONDARY ALKYL H RATE. REDUCED EA BY DIFFERENCE BETWEEN BD FOR SECONARY ALKYL AND PRIMARY ! ALLYLIC WITH F=.2: 0.2(98.4-88.2)=.2*10.2=2.0 EST. F IS LARGER THAN OH WHICH IS 0.1. REDUCED A-FACTOR ! BY 2.6 FOR TYING UP ROTOR (USED SCOTT AND WALKERS, C&F2002 A-FACTORS TO GET 2.6) IC8H16 + CH3O = IC8H15-A + CH3OH 4.74E+11 0.00 7000.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002). IC8H16 + CH3O = JC8H15-B + CH3OH 1.27E+11 0.00 3000.0 ! USED SECONDARY ALKYL H RATE. REDUCED EA BY DIFFERENCE BETWEEN BD FOR SECONARY ALKYL AND PRIMARY ! ALLYLIC WITH F=.2: 0.2(98.4-88.2)=.2*10.2=2.0 EST. F IS LARGER THAN OH WHICH IS 0.1. ! REDUCED A FACTOR BY 2.6 FOR TYING UP ROTOR (USED SCOTT AND WALKERS, C&F2002 A-FACTORS TO GET 2.6) ! JC8H16 + C2H3 = JC8H15-A + C2H4 1.50E+12 0.00 18000.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002). JC8H16 + C2H3 = JC8H15-B + C2H4 1.48E+00 3.50 4281.4 ! ANALOGY WITH C3H6+C2H3, TSANG, PROPENE, 1991. HE USED CH3+PROPANE AND REDUCED THE EA BY 4 KJ. ! LOWERED EA FURTHER BY 0.15(BD PRIMARY ALLYLLIC - SECONDARY ALLYLLIC) = .15(88.2-85.6)=.15*2.6=0.4KCAL. ! F=.15 IS FOR CH3 (DEAN AND BOZZELLI, 1997). JC8H16 + C2H3 = JC8H15-D + C2H4 2.22E+00 3.50 4681.4 ! ANALOGY WITH C3H6+C2H3, TSANG, PROPENE, 1991. HE USED CH3+PROPANE AND REDUCED THE EA BY 4 KJ. IC8H16 + C2H3 = IC8H15-A + C2H4 1.50E+12 0.00 18000.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002). IC8H16 + C2H3 = JC8H15-B + C2H4 4.43E+00 3.50 4681.4 ! ANALOGY WITH C3H6+C2H3, TSANG, PROPENE, 1991. HE USED CH3+PROPANE AND REDUCED THE EA BY 4 KJ. ! JC8H16 + C2H5 = JC8H15-A + C2H6 1.50E+11 0.00 13400.0 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002). JC8H16 + C2H5 = JC8H15-B + C2H6 2.23E+00 3.50 6236.6 ! WJP: USED PRIMARY RATE RULE FROM ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, ! IJCK 34:666-677 2002). LOWERED EA BY 0.65(BD PRIMARY ALLYLLIC - SECONDARY ALLYLLIC). 0.65 IS FOR CH3 ! ABSTRACTIONS REACTIONS FROM DEAN AND BOZZELLI COMBUSTION CHEMISTRY OF NITROGEN, 1997. ! ESTIMATED UNCERTAINTY FACTOR = 3 JC8H16 + C2H5 = JC8H15-D + C2H6 6.68E+00 3.50 6636.6 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! RATE RULE FROM TSANG 1991. IC8H16 + C2H5 = IC8H15-A + C2H6 1.50E+11 0.00 6636.6 ! ASSUME RATE RULE FOR ISO-OCTANE, CURRAN ET AL. COMB FLAME 129:253-280(2002). IC8H16 + C2H5 = JC8H15-B + C2H6 1.34E+01 3.50 6636.6 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! RATE RULE FROM TSANG 1991. ! RADICAL ADDITION REACTIONS ! CHEMICALLY ACTIVATED: IC8H16 + H = IC4H8 + TC4H9 1.00E+12 0.0 2.50E+03 ! ASSUMES 10% OF THE REACTION GOES THROUGH CHEMICAL ACTIVATION. IC8H16 + H = OC7H14 + CH3 1.00E+12 0.0 2.50E+03 ! ASSUMES 10% OF THE REACTION GOES THROUGH CHEMICAL ACTIVATION. ! DIB RADICAL DECOMPOSITION IC4H8 + IC4H7 = JC8H15-A 2.92E+03 2.36 11860.0 ! ANALOGY WITH CH3+ IC4H8, CURRAN, ALKOXY, 2004. ADD 3.5 KCAL FOR DIFFERENCE BETWEEN ALKYL AND ! ALLYL ADDITION TO DOUBLE BOND (11.3-7.8 KCAL) FROM MATHEAU ET AL. IJCK 2003. DMPD13 + CH3 = JC8H15-B 2.92E+03 2.36 8360.0 ! ANALOGY WITH CH3+ IC4H8, CURRAN, ALKOXY, 2004. NEOC5H11 + C3H4-A = JC8H15-D 1.50E+11 0.0 4970.0 ! ANALOGY WITH CH3+AC3H4, TSANG, PYROLYSIS OF 2,4-DIMETHYLHEXENE, IJCK 1973. DMPD13 + CH3 = IC8H15-A 2.92E+03 2.36 8360.0 ! ANALOGY WITH CH3+ IC4H8, CURRAN, ALKOXY, 2004. ! DIB RADICAL ISOMERIZATION: JC8H15-A = JC8H15-D 1.10E+13 -0.6 7500.0 ! USED 1,5 H SHIFT (MATHEU, GREEN, AND GRENDA, "REACTIONS THROUGH CYCLOALKYL INTERMEDIATES, IJCK 2003) ! AND CORRECTED EA FOR ALLYLIC C-H (7.8 KCAL). IC8H15-A = JC8H15-B 2.20E+13 -0.6 7500.0 ! USED 1,5 H SHIFT (MATHEU, GREEN, AND GRENDA, "REACTIONS THROUGH CYCLOALKYL INTERMEDIATES, IJCK 2003) ! AND CORRECTED EA FOR ALLYLIC C-H (7.8 KCAL). ! (IC8H15-D=JC8H15-B, THEY ARE RESONANT STRUCTURES.) ! REACTIONS OF DIB RADICALS WITH HO2: !JC8H15-A + HO2 = JC8H15O-A + OH ! NEGLECT, THIS RADICAL DEOMPOSES SO FAST THAT THIS REACTION WILL BE UNIMPORTANT. ! THIS WILL ALSO AVOID INTRODUCING A NEW SPECIES. JC8H15-B + HO2 = JC8H15O-B + OH 3.50E+12 0.0 -1000.0 ! DIVIDE INTO TWO PRODUCT PATHS, ANALOGY TO ALLYL+HO2, C3_31 MECH CURRAN ET AL. 2004. JC8H15-B + HO2 = IC8H15O-D + OH 3.50E+12 0.0 -1000.0 ! DIVIDE INTO TWO PRODUCT PATHS, ANALOGY TO ALLYL+HO2, C3_31 MECH CURRAN ET AL. 2004. JC8H15-D + HO2 = JC8H15O-D + OH 7.00E+12 0.0 -1000.0 ! ANALOGY TO ALLYL+HO2, C3_31 MECH CURRAN ET AL. 2004. ! ALKOXY DECOMPOSITION: IC3H5CHO + TC4H9 = JC8H15O-B 7.49E+22 -2.8 21140.0 ! ANALOGY TO IC3H7+CH2O, CURRAN, ALKOXY, IN PREPARATION, IJCK 2004. NEOC5H11CCH2 + CH2O = JC8H15O-D 1.50E+11 0.0 10600.0 ! ANALOGY WITH ALLYL+CH2O, FROM C3_31.MECH, CURRAN ET AL. 2004. TC4H9CHCCH3 + CH2O = IC8H15O-D 1.50E+11 0.0 10600.0 ! ANALOGY WITH ALLYL+CH2O, FROM C3_31.MECH, CURRAN ET AL. 2004. ! C7 VINYL RADICALS + O2: NEOC5H11CCH2 + O2 = NEOC5H11CO + CH2O 4.34E+12 0.0 0.0 ! ANALOGY WITH C.*CC+O2 FROM SLAGLE, BERNHARDT AND GUTMAN, 22TH SYMPOSIUM, 1989. TC4H9CHCCH3 + O2 = TC4H9CHO + CH3CO 4.34E+12 0.0 0.0 ! ANALOGY WITH C.*CC+O2 FROM SLAGLE, BERNHARDT AND GUTMAN, 22TH SYMPOSIUM, 1989. ! C7 VINYL DECOMPOSITION: C3H4-A + TC4H9 = NEOC5H11CCH2 8.80E+03 2.48 6130.0 ! ANALOGY WITH C2H5+C3H6=NEOC5H11, CURRAN, ALKOXY, 2004. C3H4-P + TC4H9 = TC4H9CHCCH3 1.76E+04 2.48 8130.0 ! ANALOGY WITH C2H5+C3H6=NEOC5H11, CURRAN, ALKOXY, 2004. INCREASED A-FACTOR BY 2 AND ! INCREASED EA BY 2 KCAL BASED ON RADOM ET AL. JPCA 2003. ! C7H13 DECOMPOSITION: C3H5-T + IC4H8 = XC7H13-Y2 2.00E+11 0.0 2010.0 ! ANALOGY WITH C2H4+C2H3=1C4H7-4, WEISSMAN AND BENSON, IJCK 1989, EA IS LOWER LIMIT. DMPD13 + H = YC7H13-Y2 1.06E+12 0.51 1230.0 ! ANALOGY TO H+IC4H8=TC4H9, CURRAN, ALKOXY, 2004. ! YC7H13-Y2 + HO2 = IC4H7-I1 + CH3COCH3 + OH 7.00E+12 0.0 -1000.0 ! ANALOGY TO ALLYL+HO2, C3_31 MECH CURRAN ET AL. 2004. YC7H13-Y2 + O = IC4H7-I1 + CH3COCH3 6.03E+13 0.0 0.0 ! ANALOGY WITH IC4H7+O FROM CURRAN ET AL., ISO-OCTANE, 2005, DIB_V1D_IC8_2E.MECH. ! CH3 IS ANOTHER POSSIBLE PRODUCT. !2,4-DI-METHYL-1,3-PENTADIENE (DMPD): DMPD13 + OH = DMPD13-B + H2O 3.00E+06 2.0 -239.0 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, ! IJCK 34:666-677 2002). ESTIMATED UNCERTAINTY FACTOR = 1.5 DMPD13 + OH = DMPD13-E + H2O 6.00E+06 2.0 -239.0 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! ESTIMATED UNCERTAINTY=1.5 DMPD13 + H = DMPD13-B + H2 1.89E+05 2.5 2390.1 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, ! IJCK 34:666-677 2002). RATE RULE FROM TSANG 1991. ESTIMATED UNCERTAINTY FACTOR = 1.5 DMPD13 + H = DMPD13-E + H2 3.79E+05 2.5 2390.1 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, ! IJCK 34:666-677 2002). RATE RULE FROM TSANG 1991. ESTIMATED UNCERTAINTY FACTOR = 1.5 DMPD13 + HO2 = DMPD13-B + H2O2 1.02E+04 2.5 12339.3 ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, ! COMBUSTION AND FLAME 129:365–377 (2002). BASED ON TOLUENE+HO2. DMPD13 + HO2 = DMPD13-E + H2O2 2.04E+04 2.5 12339.3 ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, ! COMBUSTION AND FLAME 129:365–377 (2002). BASED ON TOLUENE+HO2. DMPD13 + CH3 = DMPD13-B + CH4 1.50E-01 3.5 5736.1 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF ! SMALL ALKENES, IJCK 34:666-677 2002). RATE RULE FROM TSANG 1991. DMPD13 + CH3 = DMPD13-E + CH4 3.01E-01 3.5 5736.1 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF ! SMALL ALKENES, IJCK 34:666-677 2002). RATE RULE FROM TSANG 1991. ! RADICAL ADDITION TO DMPD13 DMPD13 + H = C3H6 + IC4H7-I1 7.30E+29 -4.34 21647.0 !ASSUME 1/2 RATE (TWO CHANNELS) AS C4H6+H = C2H4+C2H3, 97WAN/FRE( 1ATM RATE, BUT 10 ATM RATE IS ONLY 3% DIFFERENT). ! WANGS RATE IS ABOUT 5 TIMES MARINOV'S. USING WANG'S RATE TO SEE IF RXN HAS EFFECT. DMPD13 + H = IC4H8 + C3H5-T 7.30E+29 -4.34 21647.0 !ASSUME 1/2 RATE (TWO CHANNELS) AS C4H6+H = C2H4+C2H3, 97WAN/FRE( 1ATM RATE, BUT 10 ATM RATE IS ONLY 3% DIFFERENT). ! WANGS RATE IS ABOUT 5 TIMES MARINOV'S. USING WANG'S RATE TO SEE IF RXN HAS EFFECT. ! CONSUMPTION OF DMPD RADICALS: C3H4-A + IC4H7-I1 = DMPD13-B 2.00E+11 0.0 2010.0 ! ANALOGY WITH C2H4+C2H3=1C4H7-4, WEISSMAN AND BENSON, IJCK 1989, EA IS LOWER LIMIT. MPT124 + CH3 = DMPD13-E 1.50E+11 0.0 4970.0 ! ANALOGY WITH CH3+AC3H4, TSANG, PYROLYSIS OF 2,4-DIMETHYLHEXENE, IJCK 1973. !DMPD13-B + O = MPT124 + CH2OH 6.03E+13 0.0 0.0 ! ASSUME SAME PRODUCTS AS E RADICAL TO SEE IF REACTION IS IMPORTANT. !CORRECT TREATMENT BELOW ! ANALOGY WITH IC4H7+O FROM CURRAN ET AL., ISO-OCTANE, 2005, DIB_V1D_IC8_2E.MECH. ! ASSUME PRODUCTS EVOLVE AS IC4H7O = IC4H6OH = CH2OH + A-C3H4 !DMPD13-E + O = MPT124 + CH2OH 6.03E+13 0.0 0.0 ! ANALOGY WITH IC4H7+O FROM CURRAN ET AL., ISO-OCTANE, 2005, DIB_V1D_IC8_2E.MECH. ! ASSUME PRODUCTS EVOLVE AS IC4H7O = IC4H6OH = CH2OH + A-C3H4 ! MORE COMPLETE DESCRIPTION BELOW !DMPD13-B + HO2 = MPT124 + CH2OH + OH 7.00E+12 0 -1.00E+03 ! ASSUME SAME PRODUCTS AS E RADICAL TO SEE IF REACTION IS IMPORTANT. !CORRECT TREATMENT BELOW ! ANALOGY WITH IC4H7+HO2 FROM CURRAN ET AL., ISO-OCTANE, 2005, DIB_V1D_IC8_2E.MECH. ! ASSUME ALKOXY RADICAL FOLLOWS ROUTE ANALOGOUS WITH IC4H7O => IC4H6OH => CH2OH + A-C3H4 !DMPD13-E + HO2 = MPT124 + CH2OH + OH 7.00E+12 0 -1.00E+03 ! ANALOGY WITH IC4H7+HO2 FROM CURRAN ET AL., ISO-OCTANE, 2005, DIB_V1D_IC8_2E.MECH. ! ASSUME ALKOXY RADICAL FOLLOWS ROUTE ANALOGOUS WITH IC4H7O => IC4H6OH => CH2OH + A-C3H4 ! CONSUMPTION OF MPT124 (4-METHYL-1,2,4-PENTATRIENE OR C*C(C)C*C*C) MPT124 + OH = MPT124J + H2O 3.00E+06 2.0 -239.0 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! ESTIMATED UNCERTAINTY FACTOR = 1.5 MPT124 + H = MPT124J + H2 1.89E+05 2.5 2390.1 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! RATE RULE FROM TSANG 1991. ESTIMATED UNCERTAINTY FACTOR = 1.5 MPT124 + HO2 = MPT124J + H2O2 1.02E+04 2.5 12339.3 ! RATE RULE FOR PRIMARY ALLYLIC H, SCOTT AND WALKER, ADDITION OF TOLUENE, ! COMBUSTION AND FLAME 129:365–377 (2002). BASED ON TOLUENE+HO2. MPT124 + CH3 = MPT124J + CH4 1.50E-01 3.5 5736.1 ! RATE RULE FOR PRIMARY ALLYLIC H, HEYBERGER ET AL., OXIDATION OF SMALL ALKENES, IJCK 34:666-677 2002). ! RATE RULE FROM TSANG 1991. ! CONSUMPTION OF MPT124J OR C*C(C.)C*C*C C3H3 + C3H4-A = MPT124J 8.50E+10 0.0 11300.0 ! ALLYL RADICAL TO TERMINAL CARBON, MATHEU, GREEN AND GRENDA, IJCK 35: 95-119 (2003). ! !ADD REACTIONS TO TREAT OH* AND CH* FROM ERIC PETERSEN, NOV, 2003 ! HALL ET AL, WESTERN STATE SECTION OF THE COMBUSTION INSTITUTE, OCTOBER, 2003 ! NEW RATE PARAMETERS BY HALL AND PETERSEN, OH* ! !OH* ***************************************************** (HALL AND PETERSEN) ! OH* FORMATION: CH+O2=CO+OH* 4.040E+13 0.0 0.0 H+O+M=OH*+M 6.000E+14 0.0 6.94E03 !H+OH+OH=OH*+H2O 1.450E+15 0.0 0.0 ! OH* CONSUMPTION OH*+AR=OH+AR 5.200E+10 0.5 0.0 OH*+H2O=OH+H2O 5.920E+12 0.5 -8.61E2 OH*+CO2=OH+CO2 2.750E+12 0.5 -9.68E2 !SRI OH*+CO=OH+CO 3.230E+12 0.5 -7.87E2 !SRI OH*+H=OH+H 1.500E+12 0.5 0.0 OH*+H2=OH+H2 2.950E+12 0.5 -4.44E2 OH*+O2=OH+O2 2.100E+12 0.5 -4.82E2 OH*+O=OH+O 1.500E+12 0.5 0.0 OH*+OH=OH+OH 1.500E+12 0.5 0.0 OH*+CH4=OH+CH4 3.360E+12 0.5 -6.35E2 !SRI OH*=OH+HV 1.400E+06 0.0 0.0 !END OH* ******************************************************* ! !BEGIN CH* ***************************************************** (HALL AND PETERSON) !CH* FORMATION REACTIONS C2H+O=CO+CH* 6.200E+12 0.0 0.0 ! HALL AND PETERSEN: THIS IS THE MOST IMPORTANT CH* FORMATION REACTION C+H+M=CH*+M 6.000E+14 0.0 6.94E3 ! HALL AND PETERSEN: NO EFFECT OF THIS RXN AT ALL, EXCEPT MAYBE PYROLYSIS C2+OH=CO+CH* 1.110E+13 0.0 0.0 !HALL AND PETERSEN: MIMIMAL EFFECT !DEVRIENDT, VAN LOOK, CEURSTERS, AND PEETERS, CHEM PHYS LETT. 261 (1996) 450, C2H+O2 C2H+O2=CO2+CH* 2.170E+10 0.0 0.0 ! HALL AND PETERSEN: MAYBE SOME FORMATION HERE. !HWANG, GARDINER, FRENKLACH, HIDAKA, COMB. FL. 67, 65-75 (1987) CH*+M=CH+M CH*+AR=CH+AR 4.000E+11 0.5 0.0 CH*+H2O=CH+H2O 5.300E+13 0.0 0.0 !SRI CH*+CO=CH+CO 2.440E+12 0.5 0.0 !SRI CH*+CO2=CH+CO2 2.410E-01 4.3 -1.694E3 !SRI CH*+O2=CH+O2 2.480E+06 2.14 -1.72E3 !SRI CH*+H2=CH+H2 1.470E+14 0.0 1.361E3 !SRI CH*+CH4=CH+CH4 1.730E+13 0.0 1.67E2 !SRI ! WJP: "HV" BE STATED IN CHEMKIN 3 BUT IT IS NOT USED IN THE CALCS: CH*=CH+HV 1.860E+06 0.0 0.0 !SRI CH*+N2=CH+N2 303.0 3.4 -381 !SRI ! COMMENT OUT IF NO N2O: ! CH*+N2O=CH+N2O 5.300E+13 0.0 0.0 !END CH* MODEL******************************************************* ! ! REACTIONS FORMING C (GRI MECH 3.0)(ADDED BY WJP) H+CH=C+H2 1.650E+14 .000 .00 ! REACTIONS CONSUMING C (GRI MECH 3.0) C+O2=O+CO 5.800E+13 .000 576.00 OH+C=H+CO 5.000E+13 .000 .00 C+CH2=H+C2H 5.000E+13 .000 .00 C+CH3=H+C2H2 5.000E+13 .000 .00 !EXTRA REACTIONS INVOLVING C2 FROM SMITH ET AL. COMB FL 131 (FROM HALL AND PETERSEN) C2+H2=C2H+H 4.000E+05 2.4 1.00E3 CH+CH=C2+H2 5.000E+12 0.0 0.0 C+C+M=C2+M 3.000E+14 0.0 -1.00E3 C+CH=C2+H 5.000E+13 0.0 0.0 O+C2=C+CO 5.000E+13 0.0 0.0 C2+O2=CO+CO 9.000E+12 0.0 9.80E2 !END EXTRA REACTIONS FOR C2 !NEW REACTIONS ADDED FOR IC8H16 DECOMPOSITION DMPD13-E+HO2 = DMPD13O+OH 7.000E+12 0.00 -1.000E+03 !ANALOGOUS TO IC4H7 REACTIONS DMPD13O = DMBD13-D+CH2O 9.3656E+18 -1.7445 23116 !CALCULATED RATE FROM CURRAN DMPD13-E+O = DMPD13HO+H 6.030E+13 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS DMPD13O = DMPD13OHE 1.391E+11 0.00 1.560E+04 !ANALOGOUS TO IC4H7 REACTIONS DMPD13OHE+H2 = DMPD13OH+H 2.160E+04 2.38 1.899E+04 !ANALOGOUS TO IC4H7 REACTIONS DMPD13OHE+HO2 = DMPD13OH+O2 5.570E+13 -0.31 8.620E+02 !ANALOGOUS TO IC4H7 REACTIONS DMPD13OHE+CH2O = DMPD13OH+HCO 6.300E+08 1.90 1.819E+04 !ANALOGOUS TO IC4H7 REACTIONS DMPD13OHE+IC4H8 = DMPD13OH+IC4H7 4.700E+02 3.30 1.984E+04 !ANALOGOUS TO IC4H7 REACTIONS DMPD13OH = DMPD13OHE+H 4.902E+16 -0.40 8.985E+04 !ANALOGOUS TO IC4H7 REACTIONS DMPD13OH+HO2 = DMPD13OHE+H2O2 7.644E+03 2.71 1.393E+04 !ANALOGOUS TO IC4H7 REACTIONS DMPD13OHE = MPT124+CH2OH 1.055E+20 -1.87 5.618E+04 !ANALOGOUS TO IC4H7 REACTIONS !DMPD13O FORMING AN ALDEHYDE DMPD13O = DMPD13HO+H 4.63E+15 -0.802 21016.4 !CALCULATED RATE FROM CURRAN DMPD13O+O2 = DMPD13HO+HO2 3.000E+10 0.00 1.649E+03 !ANALOGOUS TO IC4H7 REACTIONS DMPD13O+HO2 = DMPD13HO+H2O2 3.000E+11 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS DMPD13O+CH3 = DMPD13HO+CH4 2.400E+13 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS DMPD13O+O = DMPD13HO+OH 6.000E+12 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS DMPD13O+OH = DMPD13HO+H2O 1.810E+13 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS DMPD13O+H = DMPD13HO+H2 1.990E+13 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS DMPD13HO+OH = DMPD13CO+H2O 2.690E+10 0.76 -3.400E+02 !ANALOGOUS TO IC4H7 REACTIONS DMPD13HO+HO2 = DMPD13CO+H2O2 1.000E+12 0.00 1.192E+04 !ANALOGOUS TO IC4H7 REACTIONS DMPD13HO+CH3 = DMPD13CO+CH4 3.980E+12 0.00 8.700E+03 !ANALOGOUS TO IC4H7 REACTIONS DMPD13HO+O = DMPD13CO+OH 7.180E+12 0.00 1.389E+03 !ANALOGOUS TO IC4H7 REACTIONS DMPD13HO+O2 = DMPD13CO+HO2 2.000E+13 0.00 4.070E+04 !ANALOGOUS TO IC4H7 REACTIONS DMPD13HO+H = DMPD13CO+H2 2.600E+12 0.00 2.600E+03 !ANALOGOUS TO IC4H7 REACTIONS DMBD13-D+CO = DMPD13CO 1.51E+11 0.00 4.81E+03 !CURRAN ESTIMATE FOR C2H5+CO=C2H5CO DMBD13-D = C3H5-T+C3H4-P 9.598E+39 -8.17 4.203E+04 !ANALOGOUS TO C3H5-S = C2H2+CH3 !DMPD13-B REACTIONS DMPD13-B+HO2 = DMPDBO+OH 7.000E+12 0.00 -1.000E+03 !ANALOGOUS TO IC4H7 REACTIONS DMPDBO = M4PD12-D+CH2O 9.3656E18 -1.7445 23116 !CALCULATED RATE FROM CURRAN M4PD12-D+HO2 = M4PD12O+OH 7.000E+12 0.00 -1.000E+03 M4PD12O = C3H3+CH3COCH3 2.028E+12 0.09 2.356E+04 !SAME AS IC3H5O=C2H3+CH2O M4PD12O = PD12CO+CH3 4.865E+14 -0.25 1.524E+04 !SAME RATE AS TC4H9O = CH3COCH3+CH3 PD12CO+OH = PD12CO-E+H2O 9.79E+00 3.64 -1.128E+03 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2 PD12CO+H = PD12CO-E+H2 1.470E+06 2.43 5.160E+03 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2 PD12CO+O = PD12CO-E+OH 2.5650E+11 0.21 4.890E+03 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2 PD12CO+CH3 = PD12CO-E+CH4 1.980E+11 0.00 9.784E+03 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2 PD12CO+CH3O = PD12CO-E+CH3OH 2.170E+11 0.00 6.460E+03 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2 PD12CO+O2 = PD12CO-E+HO2 3.015E+13 0.00 4.850E+04 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 24 PD12CO+HO2 = PD12CO-E+H2O2 8.500E+12 0.00 2.046E+04 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2 PD12CO+CH3O2 = PD12CO-E+CH3O2H 8.500E+12 0.00 2.046E+04 !TAKEN FROM ACETONE REACTIONS,RATE DIVIDED BY 2 PD12CO-E = C3H3+CH2CO 1.000E+14 0.00 3.100E+04 !TAKEN FROM ACETONE REACTION CH3COCH2<=>CH2CO+CH3 ! DMPDBO = DMPDBHO + H 4.63E+15 -0.802 21016.4 !CALCULATED RATE FROM CURRAN DMPDBHO+OH = DMPDBCO+H2O 2.690E+10 0.76 -3.400E+02 !ANALOGOUS TO IC4H7 REACTIONS DMPDBHO+HO2 = DMPDBCO+H2O2 1.000E+12 0.00 1.192E+04 !ANALOGOUS TO IC4H7 REACTIONS DMPDBHO+CH3 = DMPDBCO+CH4 3.980E+12 0.00 8.700E+03 !ANALOGOUS TO IC4H7 REACTIONS DMPDBHO+O = DMPDBCO+OH 7.180E+12 0.00 1.389E+03 !ANALOGOUS TO IC4H7 REACTIONS DMPDBHO+O2 = DMPDBCO+HO2 2.000E+13 0.00 4.070E+04 !ANALOGOUS TO IC4H7 REACTIONS DMPDBHO+H = DMPDBCO+H2 2.600E+12 0.00 2.600E+03 !ANALOGOUS TO IC4H7 REACTIONS M4PD12-D+CO = DMPDBCO 1.51E+11 0.00 4.81E+03 !CURRAN ESTIMATE FOR C2H5+CO=C2H5CO ! DMPD13-B+O = DMPDBHO+H 6.030E+13 0.00 0.000E+00 !ANALOGOUS TO IC4H7 REACTIONS !DMBD13-D+O2 DMBD13-D+O2 = IC3H5CHO+CH3CO 3.710E+25 -3.96 7.043E+03 !C3H5-T+O2 REACTION AND RATE DMBD13-D+O2 = MPT124+HO2 1.890E+30 -5.59 1.554E+04 !C3H5-T+O2 REACTION AND RATE DMBD13-D+O2 = MP1CO-C+O 3.810E+17 -1.36 5.580E+03 !C3H5-T+O2 REACTION AND RATE MP1CO-C+HO2 = MP1OCO+OH 7.000E+12 0.00 -1.000E+03 IC3H5CHO+CH3CO = MP1OCO 1E+11 0.00 9.2E+3 !VALUE FROM CURRAN C(CO)2+C3H5-T = MP1OCO 1E+11 0.00 9.2E+3 !VALUE FROM CURRAN C(CO)2+OH = C(CO)2-A+H2O 2.690E+10 0.76 -3.400E+02 !ANALOGOUS TO IC4H7 REACTIONS C(CO)2+HO2 = C(CO)2-A+H2O2 1.000E+12 0.00 1.192E+04 !ANALOGOUS TO IC4H7 REACTIONS C(CO)2+CH3 =C(CO)2-A+CH4 3.980E+12 0.00 8.700E+03 !ANALOGOUS TO IC4H7 REACTIONS C(CO)2+O = C(CO)2-A+OH 7.180E+12 0.00 1.389E+03 !ANALOGOUS TO IC4H7 REACTIONS C(CO)2+O2 = C(CO)2-A+HO2 2.000E+13 0.00 4.070E+04 !ANALOGOUS TO IC4H7 REACTIONS C(CO)2+H = C(CO)2-A+H2 2.600E+12 0.00 2.600E+03 !ANALOGOUS TO IC4H7 REACTIONS CO+CH3CO = C(CO)2-A 1.51E+11 0.00 4.81E+03 !CURRAN ESTIMATE FOR C2H5+CO=C2H5CO !M4PD13-B+O2 !M4PD13-B+O2 = M4PE2CO-A+O 3.810E+17 -1.36 5.580E+03 !C3H5-T+O2 REACTION AND RATE !M4PD13-B+O2 = COIC4H7+CH2O 3.710E+25 -3.96 7.043E+03 !C3H5-T+O2 REACTION AND RATE !IC4H7-I1+CO = COIC4H7 1.51E+11 0.00 4.81E+03 !CURRAN ESTIMATE FOR C2H5+CO=C2H5CO END