Droplet_LTORC/input_folder/redKaust-C3.yaml

generator: cti2yaml
cantera-version: 2.5.1
date: Wed, 20 Mar 2024 12:59:02 -0700
input-files: [redKaust-C3.cti]

units: {length: cm, quantity: mol, activation-energy: cal/mol}

phases:
- name: gas
  thermo: ideal-gas
  elements: [C, H, N, O, Ar, He, Ne]
  species: [AR, HE, H2, H, O2, O, H2O, OH, H2O2, HO2, CO, CO2, CH4, CH3,
    CH2, CH, CH3O2, CH3OH, CH3O, CH2OH, CH2O, HCO, C2H5, C2H4, C2H3, C2H2,
    CH3CO, CH2CO, HCCO, IC3H7, C3H6, C3H5-A, C4H8-1, NC7H16, NC7H15, NC7H14,
    NC7H15OO, NC7H14OOH, OONC7H14OOH, NC7KET, NC5H11CO, IC8H18, C8H17, C8H16,
    C8H17O2, C8H16OOH, C8H16OOH-O2, IC8KET, C6H5CH3, C6H5CH2, C6H5CHO, C6H5,
    C6H6, C6H5CO, C6H5O, C5H5, C4H5-N, C2H5OH, SC2H4OH, CH3CHO, C3H4, C3H3,
    C3H5, C3H8, I-C3H7, N-C3H7, C3H6OOH, OC3H5OOH, CH2CHO, C2H6, N2]
  kinetics: gas
  reactions: all
  transport: mixture-averaged
  state:
    T: 300.0
    P: 1.01325e+05

species:
- name: AR
  composition: {Ar: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.37967491]
    - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.37967491]
  transport:
    model: gas
    geometry: atom
    diameter: 3.33
    well-depth: 136.5
  note: G5/97
- name: HE
  composition: {He: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 0.928723974]
    - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 0.928723974]
  transport:
    model: gas
    geometry: atom
    diameter: 2.576
    well-depth: 10.2
  note: G5/97
- name: H2
  composition: {H: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [2.34433112, 7.98052075e-03, -1.9478151e-05, 2.01572094e-08, -7.37611761e-12,
      -917.935173, 0.683010238]
    - [2.93286575, 8.26608026e-04, -1.46402364e-07, 1.54100414e-11, -6.888048e-16,
      -813.065581, -1.02432865]
  transport:
    model: gas
    geometry: linear
    diameter: 2.92
    well-depth: 38.0
    polarizability: 0.79
    rotational-relaxation: 280.0
  note: TPIS78
- name: H
  composition: {H: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [2.5, 0.0, 0.0, 0.0, 0.0, 2.547366e+04, -0.44668285]
    - [2.5, 0.0, 0.0, 0.0, 0.0, 2.547366e+04, -0.44668285]
  transport:
    model: gas
    geometry: atom
    diameter: 2.05
    well-depth: 145.0
  note: L6/94
- name: O2
  composition: {O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12,
      -1063.94356, 3.65767573]
    - [3.66096065, 6.56365811e-04, -1.41149627e-07, 2.05797935e-11, -1.29913436e-15,
      -1215.97718, 3.41536279]
  transport:
    model: gas
    geometry: linear
    diameter: 3.458
    well-depth: 107.4
    polarizability: 1.6
    rotational-relaxation: 3.8
  note: RUS89
- name: O
  composition: {O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [3.1682671, -3.27931884e-03, 6.64306396e-06, -6.12806624e-09, 2.11265971e-12,
      2.91222592e+04, 2.05193346]
    - [2.54363697, -2.73162486e-05, -4.1902952e-09, 4.95481845e-12, -4.79553694e-16,
      2.9226012e+04, 4.92229457]
  transport:
    model: gas
    geometry: atom
    diameter: 2.75
    well-depth: 80.0
  note: L1/90
- name: H2O
  composition: {H: 2, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.1986352, -2.0364017e-03, 6.5203416e-06, -5.4879269e-09, 1.771968e-12,
      -3.0293726e+04, -0.84900901]
    - [2.6770389, 2.9731816e-03, -7.7376889e-07, 9.4433514e-11, -4.2689991e-15,
      -2.9885894e+04, 6.88255]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 2.605
    well-depth: 572.4
    dipole: 1.844
    rotational-relaxation: 4.0
  note: L5/89
- name: OH
  composition: {H: 1, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [3.99198424, -2.40106655e-03, 4.61664033e-06, -3.87916306e-09, 1.36319502e-12,
      3368.89836, -0.103998477]
    - [2.83853033, 1.10741289e-03, -2.94000209e-07, 4.20698729e-11, -2.4228989e-15,
      3697.80808, 5.84494652]
  transport:
    model: gas
    geometry: linear
    diameter: 2.75
    well-depth: 80.0
  note: IU3/03
- name: H2O2
  composition: {H: 2, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.31515149, -8.47390622e-04, 1.76404323e-05, -2.26762944e-08, 9.08950158e-12,
      -1.77067437e+04, 3.27373319]
    - [4.57977305, 4.05326003e-03, -1.2984473e-06, 1.982114e-10, -1.13968792e-14,
      -1.80071775e+04, 0.664970694]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.458
    well-depth: 107.4
    rotational-relaxation: 3.8
  note: T8/03
- name: HO2
  composition: {H: 1, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 5000.0]
    data:
    - [4.30179807, -4.74912097e-03, 2.11582905e-05, -2.42763914e-08, 9.29225225e-12,
      264.018485, 3.7166622]
    - [4.17228741, 1.88117627e-03, -3.46277286e-07, 1.94657549e-11, 1.76256905e-16,
      31.0206839, 2.95767672]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.458
    well-depth: 107.4
    rotational-relaxation: 1.0
  note: T1/09
- name: CO
  composition: {C: 1, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [3.5795335, -6.1035369e-04, 1.0168143e-06, 9.0700586e-10, -9.0442449e-13,
      -1.4344086e+04, 3.5084093]
    - [3.0484859, 1.3517281e-03, -4.8579405e-07, 7.8853644e-11, -4.6980746e-15,
      -1.4266117e+04, 6.0170977]
  transport:
    model: gas
    geometry: linear
    diameter: 3.65
    well-depth: 98.1
    polarizability: 1.95
    rotational-relaxation: 1.8
  note: RUS79
- name: CO2
  composition: {C: 1, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [2.356813, 8.9841299e-03, -7.1220632e-06, 2.4573008e-09, -1.4288548e-13,
      -4.8371971e+04, 9.9009035]
    - [4.6365111, 2.7414569e-03, -9.9589759e-07, 1.6038666e-10, -9.1619857e-15,
      -4.9024904e+04, -1.9348955]
  transport:
    model: gas
    geometry: linear
    diameter: 3.763
    well-depth: 244.0
    polarizability: 2.65
    rotational-relaxation: 2.1
  note: L7/88
- name: CH4
  composition: {C: 1, H: 4}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [5.14911468, -0.0136622009, 4.91453921e-05, -4.84246767e-08, 1.66603441e-11,
      -1.02465983e+04, -4.63848842]
    - [1.65326226, 0.0100263099, -3.31661238e-06, 5.36483138e-10, -3.14696758e-14,
      -1.00095936e+04, 9.90506283]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.746
    well-depth: 141.4
    polarizability: 2.6
    rotational-relaxation: 13.0
  note: G8/99
- name: CH3
  composition: {C: 1, H: 3}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [3.6571797, 2.1265979e-03, 5.4583883e-06, -6.6181003e-09, 2.4657074e-12,
      1.6422716e+04, 1.6735354]
    - [2.9781206, 5.797852e-03, -1.97558e-06, 3.072979e-10, -1.7917416e-14,
      1.6509513e+04, 4.7224799]
  transport:
    model: gas
    geometry: linear
    diameter: 3.8
    well-depth: 144.0
  note: IU0702
- name: CH2
  composition: {C: 1, H: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [3.71757846, 1.2739126e-03, 2.17347251e-06, -3.488585e-09, 1.65208866e-12,
      4.58723866e+04, 1.75297945]
    - [3.14631886, 3.03671259e-03, -9.96474439e-07, 1.5048358e-10, -8.57335515e-15,
      4.60412605e+04, 4.72341711]
  transport:
    model: gas
    geometry: linear
    diameter: 3.8
    well-depth: 144.0
  note: IU3/03
- name: CH
  composition: {C: 1, H: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [3.4897583, 3.243216e-04, -1.6899751e-06, 3.162842e-09, -1.4061803e-12,
      7.0612646e+04, 2.0842841]
    - [2.5209369, 1.7653639e-03, -4.614766e-07, 5.9289675e-11, -3.3474501e-15,
      7.0946769e+04, 7.4051829]
  transport:
    model: gas
    geometry: linear
    diameter: 2.75
    well-depth: 80.0
  note: IU3/03
- name: CH3O2
  composition: {C: 1, H: 3, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1374.0, 5000.0]
    data:
    - [1.97339205, 0.015354234, -6.37314891e-06, 3.19930565e-10, 2.82193915e-13,
      254.278835, 16.9194215]
    - [6.47970487, 7.4440108e-03, -2.52348555e-06, 3.89577296e-10, -2.25182399e-14,
      -1562.85441, -8.19477074]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.626
    well-depth: 481.8
    rotational-relaxation: 1.0
- name: CH3OH
  composition: {C: 1, H: 4, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [5.65851051, -0.0162983419, 6.91938156e-05, -7.58372926e-08, 2.8042755e-11,
      -2.56119736e+04, -0.897330508]
    - [3.52726795, 0.0103178783, -3.62892944e-06, 5.77448016e-10, -3.42182632e-14,
      -2.60028834e+04, 5.16758693]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.626
    well-depth: 481.8
    rotational-relaxation: 1.0
  note: T06/02
- name: CH3O
  composition: {C: 1, H: 3, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [3.71180502, -2.80463306e-03, 3.76550971e-05, -4.73072089e-08, 1.8658842e-11,
      1295.6976, 6.57240864]
    - [4.75779238, 7.44142474e-03, -2.69705176e-06, 4.38090504e-10, -2.63537098e-14,
      378.11194, -1.96680028]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.69
    well-depth: 417.0
    dipole: 1.7
    rotational-relaxation: 2.0
  note: IU1/03
- name: CH2OH
  composition: {C: 1, H: 3, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.47834367, -1.3507031e-03, 2.7848498e-05, -3.6486906e-08, 1.4790745e-11,
      -3500.7289, 3.309135]
    - [5.0931437, 5.9476126e-03, -2.0649746e-06, 3.23008173e-10, -1.88125902e-14,
      -4034.0964, -1.84691493]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.69
    well-depth: 417.0
    dipole: 1.7
    rotational-relaxation: 2.0
  note: IU2/03
- name: CH2O
  composition: {C: 1, H: 2, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.79372312, -9.90833322e-03, 3.7321999e-05, -3.79285237e-08, 1.31772641e-11,
      -1.43791953e+04, 0.602798058]
    - [3.16952665, 6.1932056e-03, -2.25056366e-06, 3.6597566e-10, -2.20149458e-14,
      -1.45486831e+04, 6.04207898]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.59
    well-depth: 498.0
    rotational-relaxation: 2.0
  note: T5/11
- name: HCO
  composition: {C: 1, H: 1, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.2375461, -3.32075257e-03, 1.40030264e-05, -1.34239995e-08, 4.37416208e-12,
      3872.41185, 3.30834869]
    - [3.92001542, 2.52279324e-03, -6.71004164e-07, 1.05615948e-10, -7.43798261e-15,
      3653.42928, 3.58077056]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.59
    well-depth: 498.0
  note: T5/03
- name: C2H5
  composition: {C: 2, H: 5}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1387.0, 5000.0]
    data:
    - [1.32730217, 0.0176656753, -6.14926558e-06, -3.01143466e-10, 4.38617775e-13,
      1.34284028e+04, 17.1789216]
    - [5.8878439, 0.0103076793, -3.46844396e-06, 5.32499257e-10, -3.06512651e-14,
      1.15065499e+04, -8.49651771]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.35
    well-depth: 247.5
    rotational-relaxation: 1.5
  note: 8/4/4THERM
- name: C2H4
  composition: {C: 2, H: 4}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1392.0, 5000.0]
    data:
    - [0.481118223, 0.018377806, -9.99633565e-06, 2.73211039e-09, -3.01837289e-13,
      5443.86648, 18.5867157]
    - [5.07061289, 9.11140768e-03, -3.10506692e-06, 4.80733851e-10, -2.78321396e-14,
      3663.91217, -6.64501414]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.496
    well-depth: 238.4
    rotational-relaxation: 1.5
  note: 8/12/15
- name: C2H3
  composition: {C: 2, H: 3}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1400.0, 5000.0]
    data:
    - [1.25545094, 0.0157481597, -1.12218328e-05, 4.50915682e-09, -7.74861577e-13,
      3.47435574e+04, 16.9664043]
    - [4.99675415, 6.55838271e-03, -2.20921909e-06, 3.39300272e-10, -1.95316926e-14,
      3.34604382e+04, -3.01451097]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.721
    well-depth: 265.3
    rotational-relaxation: 1.0
  note: 8/12/15
- name: C2H2
  composition: {C: 2, H: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [0.808679682, 0.0233615762, -3.55172234e-05, 2.80152958e-08, -8.50075165e-12,
      2.64289808e+04, 13.9396761]
    - [4.65878489, 4.88396667e-03, -1.60828888e-06, 2.46974544e-10, -1.38605959e-14,
      2.57594042e+04, -3.99838194]
  transport:
    model: gas
    geometry: linear
    diameter: 3.721
    well-depth: 265.3
    rotational-relaxation: 2.5
  note: G1/91
- name: CH3CO
  composition: {C: 2, H: 3, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.0358705, 8.7729487e-04, 3.071001e-05, -3.9247565e-08, 1.5296869e-11,
      -2682.0738, 7.8617682]
    - [5.3137165, 9.1737793e-03, -3.3220386e-06, 5.3947456e-10, -3.2452368e-14,
      -3645.0414, -1.6757558]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.97
    well-depth: 436.0
    rotational-relaxation: 2.0
  note: IU2/03
- name: CH2CO
  composition: {C: 2, H: 2, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [1.81422511, 0.019900859, -2.21416008e-05, 1.45028521e-08, -3.98877068e-12,
      -7053.94926, 13.6079359]
    - [5.35869367, 6.95641586e-03, -2.64802637e-06, 4.65067592e-10, -3.0864182e-14,
      -7902.94013, -3.98525731]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.97
    well-depth: 436.0
    rotational-relaxation: 2.0
- name: HCCO
  composition: {C: 2, H: 1, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [1.87607969, 0.0221205418, -3.58869325e-05, 3.05402541e-08, -1.01281069e-11,
      2.0163384e+04, 13.696829]
    - [5.91479333, 3.7140873e-03, -1.3013701e-06, 2.06473345e-10, -1.21476759e-14,
      1.93596301e+04, -5.50567269]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 2.5
    well-depth: 150.0
    rotational-relaxation: 1.0
  note: T4/09
- name: IC3H7
  composition: {C: 3, H: 7}
  thermo:
    model: NASA7
    temperature-ranges: [298.0, 1000.0, 6000.0]
    data:
    - [-0.897467137, 0.0415744022, -4.94778349e-05, 4.56493655e-08, -1.79085437e-11,
      9939.50407, 29.2641758]
    - [6.70775549, 0.0174048076, -6.07615926e-06, 9.60084351e-10, -5.6565649e-14,
      7553.77821, -10.3686516]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.81
    well-depth: 303.4
    rotational-relaxation: 1.0
  note: 8/12/15
- name: C3H6
  composition: {C: 3, H: 6}
  thermo:
    model: NASA7
    temperature-ranges: [298.0, 1000.0, 6000.0]
    data:
    - [-1.54606737, 0.0436553128, -5.61392417e-05, 4.98421927e-08, -1.84798923e-11,
      2070.56233, 29.9232495]
    - [6.59032304, 0.0152592866, -5.30369441e-06, 8.35510888e-10, -4.91215549e-14,
      -247.481113, -11.5748238]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.14
    well-depth: 307.8
    rotational-relaxation: 1.0
  note: 8/12/15
- name: C3H5-A
  composition: {C: 3, H: 5}
  thermo:
    model: NASA7
    temperature-ranges: [298.0, 1000.0, 6000.0]
    data:
    - [-3.32899442, 0.0538423469, -7.65500752e-05, 6.35512285e-08, -2.14283003e-11,
      2.03420628e+04, 36.8038362]
    - [7.37604097, 0.0123449782, -4.26463882e-06, 6.69045835e-10, -3.92202554e-14,
      1.7733296e+04, -16.1758204]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.22
    well-depth: 316.0
    rotational-relaxation: 1.0
  note: 8/12/15
- name: C4H8-1
  composition: {C: 4, H: 8}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1388.0, 5000.0]
    data:
    - [0.162599556, 0.0401052746, -2.18038592e-05, 5.47070727e-09, -4.54073315e-13,
      -1654.02601, 24.8169258]
    - [11.0189295, 0.0182714177, -6.21801907e-06, 9.62038611e-10, -5.56791341e-14,
      -5809.98818, -34.7942287]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.65
    well-depth: 355.0
    rotational-relaxation: 1.0
- name: NC7H16
  composition: {C: 7, H: 16}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1395.0, 5000.0]
    data:
    - [-0.908407323, 0.085275353, -5.25668671e-05, 1.6295425e-08, -2.0105013e-12,
      -2.57434808e+04, 33.8295611]
    - [22.5012314, 0.0346122447, -1.18043982e-05, 1.828945e-09, -1.05955678e-13,
      -3.43062239e+04, -93.3711818]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.253
    well-depth: 459.6
    rotational-relaxation: 1.0
- name: NC7H15
  composition: {C: 7, H: 15}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1396.0, 5000.0]
    data:
    - [0.397035978, 0.0741511374, -3.83235778e-05, 7.74076842e-09, -1.21846705e-13,
      -2612.70661, 31.9805516]
    - [21.4174224, 0.0328392073, -1.11628188e-05, 1.72585155e-09, -9.98390142e-14,
      -1.06455467e+04, -83.5962465]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.168
    well-depth: 437.3
    rotational-relaxation: 1.0
- name: NC7H14
  composition: {C: 7, H: 14}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1390.0, 5000.0]
    data:
    - [-1.16533279, 0.0790439806, -4.96101666e-05, 1.58569009e-08, -2.05346433e-12,
      -1.17362359e+04, 35.987107]
    - [20.6192047, 0.0314852991, -1.07162057e-05, 1.65827662e-09, -9.59911785e-14,
      -1.96713162e+04, -82.2519387]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.173
    well-depth: 457.8
    dipole: 0.3
    rotational-relaxation: 1.0
  note: 7/19/0THERM
- name: NC7H15OO
  composition: {C: 7, H: 15, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1399.0, 5000.0]
    data:
    - [1.2019826, 0.0933836346, -6.50845852e-05, 2.35152589e-08, -3.47595547e-12,
      -2.13315851e+04, 28.5195439]
    - [27.2644843, 0.0326945656, -1.1145017e-05, 1.72632915e-09, -9.9995953e-14,
      -3.03857809e+04, -111.491892]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.317
    well-depth: 561.0
    dipole: 1.7
    rotational-relaxation: 1.0
- name: NC7H14OOH
  composition: {C: 7, H: 15, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1400.0, 5000.0]
    data:
    - [1.28356907, 0.0944955667, -6.71910982e-05, 2.46830552e-08, -3.69644605e-12,
      -1.34221407e+04, 29.8300713]
    - [27.9788938, 0.0317340951, -1.08300553e-05, 1.67892063e-09, -9.73081404e-14,
      -2.2619155e+04, -113.340193]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.317
    well-depth: 561.0
    dipole: 1.7
    rotational-relaxation: 1.0
- name: OONC7H14OOH
  composition: {C: 7, H: 15, O: 4}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1394.0, 5000.0]
    data:
    - [2.32043086, 0.102080359, -6.80665886e-05, 2.17353894e-08, -2.6114996e-12,
      -3.1388016e+04, 29.0263218]
    - [33.9461015, 0.0320348143, -1.10936268e-05, 1.73715155e-09, -1.01404253e-13,
      -4.26242723e+04, -141.965954]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.436
    well-depth: 677.149
- name: NC7KET
  composition: {C: 7, H: 14, O: 3}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1387.0, 5000.0]
    data:
    - [-0.46488568, 0.103357179, -7.61139823e-05, 2.78751565e-08, -4.03730693e-12,
      -4.99658596e+04, 39.4918604]
    - [31.3654946, 0.028382537, -9.59763655e-06, 1.48080243e-09, -8.56069968e-14,
      -6.07950743e+04, -130.969387]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.506
    well-depth: 581.3
    dipole: 2.0
    rotational-relaxation: 1.0
- name: NC5H11CO
  composition: {C: 6, H: 11, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1387.0, 5000.0]
    data:
    - [2.03899694, 0.0597834497, -3.08487256e-05, 5.75699235e-09, 8.35477271e-14,
      -1.45087642e+04, 23.0358058]
    - [20.0712533, 0.0247109029, -8.46937882e-06, 1.31698154e-09, -7.65012214e-14,
      -2.14161547e+04, -76.2093348]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.009
    well-depth: 498.6
    dipole: 2.0
    rotational-relaxation: 1.0
- name: IC8H18
  composition: {C: 8, H: 18}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1375.0, 5000.0]
    data:
    - [-2.320103, 0.0994421827, -5.50646625e-05, 1.24524269e-08, -5.630668e-13,
      -3.00098387e+04, 37.0060008]
    - [28.9836767, 0.0373559123, -1.29897715e-05, 2.03973991e-09, -1.19299976e-13,
      -4.19523072e+04, -134.980537]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.414
    well-depth: 458.5
    rotational-relaxation: 1.0
  note: 4/9/16
- name: C8H17
  composition: {C: 8, H: 17}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1375.0, 5000.0]
    data:
    - [-1.98100191, 0.0960814588, -5.40979109e-05, 1.26600048e-08, -6.77574373e-13,
      -5687.62686, 38.7993547]
    - [28.4356308, 0.0352691727, -1.22693107e-05, 1.9272357e-09, -1.12748013e-13,
      -1.72341299e+04, -128.126198]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.414
    well-depth: 458.5
    rotational-relaxation: 1.0
  note: 4/17/16THERM
- name: C8H16
  composition: {C: 8, H: 16}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1397.0, 5000.0]
    data:
    - [-2.76918691, 0.0993990701, -6.83906734e-05, 2.38396065e-08, -3.31639651e-12,
      -1.64257106e+04, 38.8970353]
    - [25.6705029, 0.0336855956, -1.13266491e-05, 1.7390717e-09, -1.00139465e-13,
      -2.62708423e+04, -113.924701]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.44
    well-depth: 485.6
    dipole: 0.3
    rotational-relaxation: 1.0
  note: 4/24/16THERM
- name: C8H17O2
  composition: {C: 8, H: 17, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1376.0, 5000.0]
    data:
    - [-0.217657327, 0.104171553, -6.11938687e-05, 1.56006304e-08, -1.16839582e-12,
      -2.42259505e+04, 34.0440351]
    - [33.4098292, 0.0359420358, -1.2645638e-05, 2.0010169e-09, -1.17653224e-13,
      -3.69143682e+04, -150.187273]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.506
    well-depth: 581.3
    dipole: 2.0
    rotational-relaxation: 1.0
  note: 4/11/16
- name: C8H16OOH
  composition: {C: 8, H: 17, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1379.0, 5000.0]
    data:
    - [-0.848379668, 0.107744052, -6.71459544e-05, 1.92996608e-08, -1.95634286e-12,
      -1.65617081e+04, 39.4028041]
    - [33.411312, 0.0356413407, -1.24753351e-05, 1.96747508e-09, -1.15417876e-13,
      -2.92045554e+04, -147.330594]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.506
    well-depth: 581.3
    dipole: 2.0
    rotational-relaxation: 1.0
  note: 16THERM
- name: C8H16OOH-O2
  composition: {C: 8, H: 17, O: 4}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1378.0, 5000.0]
    data:
    - [0.974524953, 0.115449803, -7.35282935e-05, 2.16812646e-08, -2.30117546e-12,
      -3.43510688e+04, 34.3956598]
    - [38.4821294, 0.0360972499, -1.27491745e-05, 2.0225498e-09, -1.19129555e-13,
      -4.81559571e+04, -169.902551]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.506
    well-depth: 581.3
    dipole: 2.0
    rotational-relaxation: 1.0
  note: 16THERM
- name: IC8KET
  composition: {C: 8, H: 16, O: 3}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1397.0, 5000.0]
    data:
    - [-0.158674451, 0.111893828, -8.31304602e-05, 3.24533905e-08, -5.22031842e-12,
      -5.16412602e+04, 37.1969282]
    - [31.1021857, 0.036459017, -1.24943176e-05, 1.94223767e-09, -1.12782039e-13,
      -6.2279878e+04, -129.876285]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.506
    well-depth: 581.3
    dipole: 2.0
    rotational-relaxation: 1.0
  note: 4/23/16THERM
- name: C6H5CH3
  composition: {C: 7, H: 8}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [-2.43395338, 0.0552665386, -1.43012515e-05, -1.34211403e-08, 6.31647638e-12,
      4433.34751, 36.6431988]
    - [12.940034, 0.026691287, -9.6838505e-06, 1.5738629e-09, -9.4663601e-14,
      -658.670553, -46.685542]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.68
    well-depth: 495.3
    dipole: 0.375
    polarizability: 12.3
    rotational-relaxation: 1.0
  note: l6/87
- name: C6H5CH2
  composition: {C: 7, H: 7}
  thermo:
    model: NASA7
    temperature-ranges: [250.0, 1000.0, 6000.0]
    data:
    - [-5.82826786, 0.0866126552, -9.21076288e-05, 6.01075277e-08, -1.82042779e-11,
      2.36090846e+04, 49.2594176]
    - [14.723052, 0.023034244, -8.4847359e-06, 1.3916962e-09, -8.4247967e-14,
      1.80276246e+04, -55.8951695]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.68
    well-depth: 495.3
    dipole: 0.375
    polarizability: 12.3
    rotational-relaxation: 1.0
  note: iu3/03
- name: C6H5CHO
  composition: {C: 7, H: 6, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1386.0, 5000.0]
    data:
    - [-2.60353345, 0.064552181, -4.65225481e-05, 1.75020923e-08, -2.85902517e-12,
      -6093.49966, 39.5197874]
    - [17.4024893, 0.0189508317, -6.58694307e-06, 1.03413046e-09, -6.04793155e-14,
      -1.31347923e+04, -68.3284224]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.53
    well-depth: 622.4
    dipole: 3.0
    polarizability: 12.3
    rotational-relaxation: 1.0
  note: 5/16/90THERM
- name: C6H5
  composition: {C: 6, H: 5}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [-3.07054064, 0.0482358178, -2.22615384e-05, -4.12153284e-09, 4.05326297e-12,
      3.98360456e+04, 38.5390446]
    - [10.8444762, 0.0173212473, -6.29233249e-06, 1.02369961e-09, -6.16216828e-14,
      3.55919142e+04, -35.3388751]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.349
    well-depth: 412.3
    dipole: 0.3
    polarizability: 10.32
    rotational-relaxation: 1.0
  note: T04/02
- name: C6H6
  composition: {C: 6, H: 6}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [-3.09552155, 0.0489667572, -1.53120946e-05, -1.12368522e-08, 6.10448405e-12,
      8869.81257, 36.1793947]
    - [11.0809576, 0.0207176746, -7.52145991e-06, 1.22320984e-09, -7.36091279e-14,
      4341.59966, -40.0033193]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.349
    well-depth: 412.3
    polarizability: 10.32
    rotational-relaxation: 1.0
  note: G6/01
- name: C6H5CO
  composition: {C: 7, H: 5, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1396.0, 5000.0]
    data:
    - [-1.99760308, 0.0673502233, -5.83626802e-05, 2.66387303e-08, -5.06805017e-12,
      1.024168e+04, 34.867862]
    - [17.9587471, 0.0158218495, -5.48154854e-06, 8.58709339e-10, -5.01435299e-14,
      3793.61859, -70.6233364]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.53
    well-depth: 622.4
    dipole: 2.0
    polarizability: 12.3
    rotational-relaxation: 1.0
- name: C6H5O
  composition: {C: 6, H: 5, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [-3.20361501, 0.0645073124, -5.45387062e-05, 2.39900872e-08, -4.94649243e-12,
      5019.85886, 38.7526394]
    - [13.722172, 0.0174688771, -6.3550452e-06, 1.03492308e-09, -6.23410504e-14,
      314.029918, -48.7892668]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.5
    well-depth: 450.0
    dipole: 0.7
    polarizability: 10.32
    rotational-relaxation: 1.0
  note: T05/02
- name: C5H5
  composition: {C: 5, H: 5}
  thermo:
    model: NASA7
    temperature-ranges: [298.15, 969.35, 3500.0]
    data:
    - [-3.97555377, 0.0741370931, -1.11803328e-04, 9.04628594e-08, -2.80999678e-11,
      3.01769404e+04, 36.7153605]
    - [1.33675715, 0.0324793912, -1.67587774e-05, 4.03514137e-09, -3.70739036e-13,
      3.00730525e+04, 16.0315806]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.2
    well-depth: 408.0
    dipole: 0.419
    polarizability: 8.0
    rotational-relaxation: 1.0
  note: TAK0505
- name: C4H5-N
  composition: {C: 4, H: 5}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
    - [-0.657590703, 0.0465379868, -5.28574743e-05, 3.69627358e-08, -1.13120066e-11,
      4.1504119e+04, 26.8753359]
    - [9.8501978, 0.010779008, -1.3672125e-06, -7.7200535e-10, 1.8366314e-13,
      3.88469506e+04, -25.9917181]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.1
    well-depth: 329.0
    rotational-relaxation: 1.0
  note: H6W/94
- name: C2H5OH
  composition: {C: 2, H: 6, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.8586957, -3.7401726e-03, 6.9555378e-05, -8.8654796e-08, 3.5168835e-11,
      -2.9996132e+04, 4.8018545]
    - [6.5624365, 0.015204222, -5.3896795e-06, 8.6225011e-10, -5.1289787e-14,
      -3.1525621e+04, -9.4730202]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.41
    well-depth: 470.6
    rotational-relaxation: 1.5
  note: l8/88
- name: SC2H4OH
  composition: {C: 2, H: 5, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.2228325, 5.12174798e-03, 3.48386522e-05, -4.91943637e-08, 2.01183723e-11,
      -8205.03939, 8.016757]
    - [6.35842302, 0.0124356276, -4.33096839e-06, 6.84530381e-10, -4.03713238e-14,
      -9379.00432, -6.05106112]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.41
    well-depth: 470.6
    rotational-relaxation: 1.5
  note: t10/04
- name: CH3CHO
  composition: {C: 2, H: 4, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.7294595, -3.1932858e-03, 4.7534921e-05, -5.7458611e-08, 2.1931112e-11,
      -2.1572878e+04, 4.1030159]
    - [5.4041108, 0.011723059, -4.2263137e-06, 6.8372451e-10, -4.0984863e-14,
      -2.2593122e+04, -3.4807917]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.97
    well-depth: 436.0
    rotational-relaxation: 2.0
  note: L8/88
- name: C3H4
  composition: {C: 3, H: 4}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [2.6130445, 0.012122575, 1.853988e-05, -3.4525149e-08, 1.5335079e-11,
      2.1541567e+04, 10.226139]
    - [6.3168722, 0.011133728, -3.9629378e-06, 6.3564238e-10, -3.787554e-14,
      2.0117495e+04, -10.995766]
  transport:
    model: gas
    geometry: linear
    diameter: 4.29
    well-depth: 324.8
    rotational-relaxation: 1.0
  note: '000000'
- name: C3H3
  composition: {C: 3, H: 3}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [1.35110873, 0.0327411291, -4.73827407e-05, 3.7631022e-08, -1.18541128e-11,
      4.07679941e+04, 15.2058598]
    - [7.14221719, 7.61902211e-03, -2.6746003e-06, 4.24914904e-10, -2.51475443e-14,
      3.95709594e+04, -12.584869]
  transport:
    model: gas
    geometry: linear
    diameter: 4.29
    well-depth: 324.8
    rotational-relaxation: 1.0
  note: T7/11
- name: C3H5
  composition: {C: 3, H: 5}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
    - [1.3631835, 0.019813821, 1.249706e-05, -3.3355555e-08, 1.5846571e-11,
      1.9245629e+04, 17.173214]
    - [6.5007877, 0.014324731, -5.6781632e-06, 1.1080801e-09, -9.0363887e-14,
      1.7482449e+04, -11.24305]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.22
    well-depth: 316.0
    rotational-relaxation: 1.0
  note: PD5/98
- name: C3H8
  composition: {C: 3, H: 8}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1390.0, 5000.0]
    data:
    - [0.24087847, 0.0339548599, -1.60930874e-05, 2.83480628e-09, 2.78195172e-14,
      -1.40362853e+04, 21.65008]
    - [9.1554131, 0.0172574139, -5.85614868e-06, 9.04190155e-10, -5.22523772e-14,
      -1.75762439e+04, -27.741851]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.81
    well-depth: 303.4
    rotational-relaxation: 1.0
  note: 8/12/15
- name: I-C3H7
  composition: {C: 3, H: 7}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [1.4449199, 0.020999112, 7.7036222e-06, -1.8476253e-08, 7.1282962e-12,
      9422.3724, 20.116317]
    - [6.5192741, 0.017220104, -5.7364217e-06, 8.4130732e-10, -4.4565913e-14,
      7322.7193, -9.0830215]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.81
    well-depth: 303.4
    rotational-relaxation: 1.0
  note: '000000'
- name: N-C3H7
  composition: {C: 3, H: 7}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [1.0491173, 0.026008973, 2.3542516e-06, -1.9595132e-08, 9.3720207e-12,
      1.0312346e+04, 21.136034]
    - [7.7097479, 0.016031485, -5.2720238e-06, 7.5888352e-10, -3.8862719e-14,
      7976.2236, -15.515297]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.81
    well-depth: 303.4
    rotational-relaxation: 1.0
  note: '000000'
- name: C3H6OOH
  composition: {C: 3, H: 7, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [1.91005011, 0.0411666833, -2.51630217e-05, 7.11856873e-09, -6.98838732e-13,
      -1793.05093, 23.4514457]
    - [14.613998, 0.0143723015, -4.88635144e-06, 7.5651962e-10, -4.38364992e-14,
      -6461.01457, -45.7478245]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.82
    well-depth: 487.9
    rotational-relaxation: 1.0
  note: '000000'
- name: OC3H5OOH
  composition: {C: 3, H: 6, O: 3}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [0.768933034, 0.054690588, -4.65072405e-05, 2.03159585e-08, -3.58398999e-12,
      -3.63238861e+04, 26.8291637]
    - [17.0285271, 0.0130716784, -4.59310856e-06, 7.26135156e-10, -4.26658337e-14,
      -4.16334217e+04, -59.2513577]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.82
    well-depth: 487.9
    rotational-relaxation: 1.0
  note: '000000'
- name: CH2CHO
  composition: {C: 2, H: 3, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [2.795026, 0.0101099472, 1.61750645e-05, -3.10303145e-08, 1.39436139e-11,
      162.944975, 12.3646657]
    - [6.53928338, 7.80238629e-03, -2.76413612e-06, 4.42098906e-10, -2.6295429e-14,
      -1188.58659, -8.72091393]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.97
    well-depth: 436.0
    rotational-relaxation: 2.0
  note: T03/10
- name: C2H6
  composition: {C: 2, H: 6}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.29142572, -5.50154901e-03, 5.99438458e-05, -7.08466469e-08, 2.68685836e-11,
      -1.15222056e+04, 2.66678994]
    - [4.04666411, 0.0153538802, -5.47039485e-06, 8.77826544e-10, -5.23167531e-14,
      -1.24473499e+04, -0.968698313]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.35
    well-depth: 247.5
    rotational-relaxation: 1.5
  note: G8/88
- name: N2
  composition: {N: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [3.53100528, -1.23660988e-04, -5.02999433e-07, 2.43530612e-09, -1.40881235e-12,
      -1046.97628, 2.96747038]
    - [2.95257637, 1.3969004e-03, -4.92631603e-07, 7.86010195e-11, -4.60755204e-15,
      -923.948688, 5.87188762]
  transport:
    model: gas
    geometry: linear
    diameter: 3.621
    well-depth: 97.53
    polarizability: 1.76
    rotational-relaxation: 4.0
  note: G8/02

reactions:
- equation: C3H4 + O <=> C2H4 + CO  # Reaction 1
  rate-constant: {A: 2.0e+07, b: 1.8, Ea: 1000.0}
- equation: CH3 + C2H2 <=> C3H4 + H  # Reaction 2
  rate-constant: {A: 2.56e+09, b: 1.1, Ea: 1.364388e+04}
- equation: C3H4 + O <=> HCCO + CH3  # Reaction 3
  rate-constant: {A: 7.3e+12, b: 0.0, Ea: 2250.0}
- equation: C3H3 + H (+ M) <=> C3H4 (+ M)  # Reaction 4
  type: falloff
  low-P-rate-constant: {A: 9.0e+15, b: 1.0, Ea: 0.0}
  high-P-rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
  Troe: {A: 0.5, T3: 1.0e+30, T1: 1.0e-30}
- equation: C3H3 + HO2 <=> C3H4 + O2  # Reaction 5
  rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0}
- equation: C3H4 + OH <=> C3H3 + H2O  # Reaction 6
  rate-constant: {A: 5.3e+06, b: 2.0, Ea: 2000.0}
- equation: C3H3 + O2 <=> CH2CO + HCO  # Reaction 7
  rate-constant: {A: 3.0e+10, b: 0.0, Ea: 2868.07}
- equation: C3H4 + H (+ M) <=> C3H5 (+ M)  # Reaction 8
  type: falloff
  low-P-rate-constant: {A: 3.0e+24, b: -2.0, Ea: 0.0}
  high-P-rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0}
  Troe: {A: 0.8, T3: 1.0e+30, T1: 1.0e-30}
- equation: C3H5 + H <=> C3H4 + H2  # Reaction 9
  rate-constant: {A: 1.8e+13, b: 0.0, Ea: 0.0}
- equation: C3H5 + O2 <=> C3H4 + HO2  # Reaction 10
  rate-constant: {A: 4.99e+15, b: -1.4, Ea: 2.242806e+04}
- equation: C3H5 + CH3 <=> C3H4 + CH4  # Reaction 11
  rate-constant: {A: 3.0e+12, b: -0.32, Ea: -130.98}
- equation: C2H2 + CH3 (+ M) <=> C3H5 (+ M)  # Reaction 12
  type: falloff
  low-P-rate-constant: {A: 2.0e+09, b: 1.0, Ea: 0.0}
  high-P-rate-constant: {A: 6.0e+08, b: 0.0, Ea: 0.0}
  Troe: {A: 0.5, T3: 1.0e+30, T1: 1.0e-30}
- equation: C3H5 + OH <=> C3H4 + H2O  # Reaction 13
  rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0}
- equation: C3H3 + HCO <=> C3H4 + CO  # Reaction 14
  rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0}
- equation: C3H3 + HO2 <=> OH + CO + C2H3  # Reaction 15
  rate-constant: {A: 8.0e+11, b: 0.0, Ea: 0.0}
- equation: C3H4 + O2 <=> CH3 + HCO + CO  # Reaction 16
  rate-constant: {A: 4.0e+14, b: 0.0, Ea: 4.1826e+04}
- equation: C3H6 + O <=> C2H5 + HCO  # Reaction 17
  rate-constant: {A: 3.5e+07, b: 1.65, Ea: -972.75}
- equation: C3H6 + OH <=> C3H5 + H2O  # Reaction 18
  rate-constant: {A: 3.1e+06, b: 2.0, Ea: -298.28}
- equation: C3H6 + O <=> CH2CO + CH3 + H  # Reaction 19
  rate-constant: {A: 1.2e+08, b: 1.65, Ea: 327.44}
- equation: C3H6 + H <=> C3H5 + H2  # Reaction 20
  rate-constant: {A: 1.7e+05, b: 2.5, Ea: 2492.83}
- equation: C3H5 + H (+ M) <=> C3H6 (+ M)  # Reaction 21
  type: falloff
  low-P-rate-constant: {A: 1.33e+60, b: -12.0, Ea: 5967.97}
  high-P-rate-constant: {A: 2.0e+14, b: 0.0, Ea: 0.0}
  Troe: {A: 0.02, T3: 1097.0, T1: 1097.0, T2: 6860.0}
  efficiencies: {AR: 0.7, C2H6: 3.0, CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0,
    H2O: 6.0}
- equation: C3H5 + HO2 <=> C3H6 + O2  # Reaction 22
  rate-constant: {A: 2.66e+12, b: 0.0, Ea: 0.0}
- equation: C3H5 + HO2 <=> OH + C2H3 + CH2O  # Reaction 23
  rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0}
- equation: C2H3 + CH3 (+ M) <=> C3H6 (+ M)  # Reaction 24
  type: falloff
  low-P-rate-constant: {A: 4.27e+58, b: -11.94, Ea: 9770.55}
  high-P-rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0}
  Troe: {A: 0.175, T3: 1341.0, T1: 6.0e+04, T2: 1.014e+04}
  efficiencies: {AR: 0.7, C2H6: 3.0, CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0,
    H2O: 6.0}
- equation: C3H6 + H <=> C2H4 + CH3  # Reaction 25
  rate-constant: {A: 1.6e+22, b: -2.39, Ea: 1.118547e+04}
- equation: CH3 + C2H3 <=> C3H5 + H  # Reaction 26
  rate-constant: {A: 1.5e+24, b: -2.83, Ea: 1.861855e+04}
- equation: C3H8 (+ M) <=> CH3 + C2H5 (+ M)  # Reaction 27
  type: falloff
  low-P-rate-constant: {A: 7.83e+18, b: 0.0, Ea: 6.497801e+04}
  high-P-rate-constant: {A: 1.1e+17, b: 0.0, Ea: 8.439293e+04}
  Troe: {A: 0.76, T3: 1900.0, T1: 38.0}
- equation: C3H8 + O2 <=> I-C3H7 + HO2  # Reaction 28
  rate-constant: {A: 4.0e+13, b: 0.0, Ea: 4.75e+04}
- equation: C3H8 + O2 <=> N-C3H7 + HO2  # Reaction 29
  rate-constant: {A: 4.0e+13, b: 0.0, Ea: 5.093212e+04}
- equation: C3H8 + H <=> I-C3H7 + H2  # Reaction 30
  rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.08}
- equation: C3H8 + H <=> N-C3H7 + H2  # Reaction 31
  rate-constant: {A: 1.33e+06, b: 2.54, Ea: 6761.47}
- equation: C3H8 + O <=> I-C3H7 + OH  # Reaction 32
  rate-constant: {A: 4.76e+04, b: 2.71, Ea: 2107.31}
- equation: C3H8 + O <=> N-C3H7 + OH  # Reaction 33
  rate-constant: {A: 1.9e+05, b: 2.68, Ea: 3718.45}
- equation: C3H8 + OH <=> N-C3H7 + H2O  # Reaction 34
  rate-constant: {A: 1.0e+10, b: 1.0, Ea: 1599.9}
- equation: C3H8 + OH <=> I-C3H7 + H2O  # Reaction 35
  rate-constant: {A: 2.0e+07, b: -1.6, Ea: -99.9}
- equation: C3H8 + HO2 <=> I-C3H7 + H2O2  # Reaction 36
  rate-constant: {A: 9640.0, b: 2.6, Ea: 1.39173e+04}
- equation: C3H8 + HO2 <=> N-C3H7 + H2O2  # Reaction 37
  rate-constant: {A: 4.76e+04, b: 2.55, Ea: 1.64914e+04}
- equation: I-C3H7 + C3H8 <=> N-C3H7 + C3H8  # Reaction 38
  rate-constant: {A: 8.4e-03, b: 4.2, Ea: 8675.91}
- equation: C3H6 + H (+ M) <=> I-C3H7 (+ M)  # Reaction 39
  type: falloff
  low-P-rate-constant: {A: 8.7e+42, b: -7.5, Ea: 4732.31}
  high-P-rate-constant: {A: 1.33e+13, b: 0.0, Ea: 1560.71}
  Troe: {A: 1.0, T3: 1000.0, T1: 645.4, T2: 6844.0}
  efficiencies: {AR: 0.7, C2H6: 3.0, CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0,
    H2O: 6.0}
- equation: I-C3H7 + O2 <=> C3H6 + HO2  # Reaction 40
  rate-constant: {A: 1.3e+11, b: 0.0, Ea: 0.0}
- equation: N-C3H7 (+ M) <=> CH3 + C2H4 (+ M)  # Reaction 41
  type: falloff
  low-P-rate-constant: {A: 5.49e+49, b: -10.0, Ea: 3.577892e+04}
  high-P-rate-constant: {A: 1.23e+13, b: -0.1, Ea: 3.021033e+04}
  Troe: {A: -1.17, T3: 251.0, T1: 1.0e-15, T2: 1185.0}
- equation: H + C3H6 (+ M) <=> N-C3H7 (+ M)  # Reaction 42
  type: falloff
  low-P-rate-constant: {A: 6.26e+38, b: -6.66, Ea: 7000.48}
  high-P-rate-constant: {A: 1.33e+13, b: 0.0, Ea: 3260.04}
  Troe: {A: 1.0, T3: 1000.0, T1: 1310.0, T2: 4.81e+04}
  efficiencies: {AR: 0.7, C2H6: 3.0, CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0,
    H2O: 6.0}
- equation: N-C3H7 + O2 <=> C3H6 + HO2  # Reaction 43
  rate-constant: {A: 3.5e+16, b: -1.6, Ea: 3500.0}
- equation: N-C3H7 + O2 <=> C3H6OOH  # Reaction 44
  rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0}
- equation: C3H6OOH <=> C3H6 + HO2  # Reaction 45
  rate-constant: {A: 2.5e+35, b: -8.3, Ea: 2.2e+04}
- equation: C3H6OOH + O2 <=> OC3H5OOH + OH  # Reaction 46
  rate-constant: {A: 1.5e+08, b: 0.0, Ea: -7000.0}
- equation: OC3H5OOH <=> CH2CHO + CH2O + OH  # Reaction 47
  rate-constant: {A: 1.0e+15, b: 0.0, Ea: 4.3e+04}
- equation: C6H5CH3 + OH <=> C6H5CH2 + H2O  # Reaction 48
  rate-constant: {A: 7.7e+04, b: 1.39, Ea: -602.0}
- equation: C6H5CH3 + O2 <=> C6H5CH2 + HO2  # Reaction 49
  rate-constant: {A: 1.5e+06, b: 2.0, Ea: 3.0e+04}
- equation: C6H5CH2 + OH <=> C6H5CHO + H2  # Reaction 50
  rate-constant: {A: 3.0e+14, b: 0.0, Ea: 0.0}
- equation: C6H5CH2 + HO2 <=> C6H5CHO + H2O  # Reaction 51
  rate-constant: {A: 3.0e+14, b: 0.0, Ea: 0.0}
- equation: C6H5CH2 + O <=> C6H5CHO + H  # Reaction 52
  rate-constant: {A: 2.11e+15, b: 0.0, Ea: 0.0}
- equation: C6H5CH2 + O <=> C6H5 + CH2O  # Reaction 53
  rate-constant: {A: 5.95e+13, b: 0.0, Ea: 0.0}
- equation: C6H5CH3 (+ M) <=> C6H5CH2 + H (+ M)  # Reaction 54
  type: falloff
  low-P-rate-constant: {A: 1.0e+98, b: -22.9, Ea: 9.99e+04}
  high-P-rate-constant: {A: 2.78e+15, b: 0.17, Ea: 9.12e+04}
  Troe: {A: 0.0655, T3: 15.1, T1: 1.0e+10, T2: 7.6e+07}
- equation: C6H5CH3 (+ M) <=> C6H5 + CH3 (+ M)  # Reaction 55
  type: falloff
  low-P-rate-constant: {A: 1.0e+98, b: -23.0, Ea: 1.22e+05}
  high-P-rate-constant: {A: 1.95e+27, b: -3.16, Ea: 1.07e+05}
  Troe: {A: 0.705, T3: 1.0e+10, T1: 460.0, T2: 8.21e+09}
- equation: C6H5CH3 + H <=> C6H6 + CH3  # Reaction 56
  rate-constant: {A: 9.49e+05, b: 2.0, Ea: 944.0}
- equation: C6H5CHO + H <=> C6H5CO + H2  # Reaction 57
  rate-constant: {A: 1.31e+05, b: 2.58, Ea: 1220.0}
- equation: C6H5CHO + OH <=> C6H5CO + H2O  # Reaction 58
  rate-constant: {A: 3.37e+12, b: 0.0, Ea: -619.0}
- equation: C6H5 + CO <=> C6H5CO  # Reaction 59
  rate-constant: {A: 1.7e+12, b: 0.63, Ea: 1.69e+04}
- equation: C6H5 + H (+ M) <=> C6H6 (+ M)  # Reaction 60
  type: falloff
  low-P-rate-constant: {A: 6.6e+77, b: -16.3, Ea: 7000.0}
  high-P-rate-constant: {A: 1.0e+16, b: 0.0, Ea: 0.0}
  Troe: {A: 1.0, T3: 0.1, T1: 585.0, T2: 6110.0}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: C6H6 + H <=> C6H5 + H2  # Reaction 61
  rate-constant: {A: 2.5e+14, b: 0.0, Ea: 1.6e+04}
- equation: C6H6 + O <=> C6H5 + OH  # Reaction 62
  rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.47e+04}
- equation: C6H6 + OH <=> C6H5 + H2O  # Reaction 63
  rate-constant: {A: 1.2, b: 4.1, Ea: -301.0}
- equation: C6H5 + O2 <=> C6H5O + O  # Reaction 64
  rate-constant: {A: 6.0e+15, b: 0.0, Ea: 1.12e+04}
- equation: C6H5O <=> CO + C5H5  # Reaction 65
  rate-constant: {A: 2.0e+13, b: 0.0, Ea: 3.5e+04}
- equation: C5H5 + O <=> C4H5-N + CO  # Reaction 66
  rate-constant: {A: 3.2e+13, b: -0.17, Ea: 440.0}
- equation: C2H3 + C2H2 <=> C4H5-N  # Reaction 67
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.0132 atm, A: 1.1e+31, b: -7.14, Ea: 5600.0}
  - {P: 0.0263 atm, A: 1.1e+32, b: -7.33, Ea: 6200.0}
  - {P: 0.12 atm, A: 2.4e+31, b: -6.95, Ea: 5600.0}
  - {P: 1.0 atm, A: 9.3e+38, b: -8.76, Ea: 1.2e+04}
  - {P: 10.0 atm, A: 8.1e+37, b: -8.09, Ea: 1.34e+04}
- equation: NC7H16 + O2 => NC7H15 + HO2  # Reaction 68
  rate-constant: {A: 9.0e+13, b: 0.0, Ea: 5.0424099e+04}
- equation: NC7H15 + HO2 => NC7H16 + O2  # Reaction 69
  rate-constant: {A: 6.0e+11, b: 0.0, Ea: 1172.53}
- equation: NC7H16 + OH => NC7H15 + H2O  # Reaction 70
  rate-constant: {A: 1.0e+14, b: 0.0, Ea: 2906.981}
- equation: NC7H16 + HO2 => NC7H15 + H2O2  # Reaction 71
  rate-constant: {A: 6.0e+12, b: 0.0, Ea: 1.9534197e+04}
- equation: NC7H15 + O2 => NC7H15OO  # Reaction 72
  rate-constant: {A: 9.0e+12, b: 0.0, Ea: 0.0}
- equation: NC7H15OO => NC7H15 + O2  # Reaction 73
  rate-constant: {A: 1.25e+15, b: 0.0, Ea: 3.35108e+04}
- equation: NC7H15OO <=> NC7H14OOH  # Reaction 74
  rate-constant: {A: 1.2e+11, b: 0.0, Ea: 2.1350315e+04}
- equation: NC7H14OOH + O2 => OONC7H14OOH  # Reaction 75
  rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
- equation: OONC7H14OOH => NC7H14OOH + O2  # Reaction 76
  rate-constant: {A: 4.44e+10, b: 0.0, Ea: 2.2957798e+04}
- equation: OONC7H14OOH => NC7KET + OH  # Reaction 77
  rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.8345971e+04}
- equation: NC7KET => OH + CH2O + NC5H11CO  # Reaction 78
  rate-constant: {A: 4.0e+15, b: 0.0, Ea: 3.9e+04}
- equation: NC5H11CO + O2 => IC3H7 + C2H3 + CO + HO2  # Reaction 79
  rate-constant: {A: 3.16e+13, b: 0.0, Ea: 1.0e+04}
- equation: NC7H15OO <=> NC7H14 + HO2  # Reaction 80
  rate-constant: {A: 2.8e+12, b: 0.0, Ea: 2.8e+04}
- equation: NC7H14 + O2 => C3H6 + C2H5 + CH2O + HCO  # Reaction 81
  rate-constant: {A: 3.16e+13, b: 0.0, Ea: 1.0e+04}
- equation: NC7H15 => C3H6 + C2H5 + C2H4  # Reaction 82
  rate-constant: {A: 5.0e+08, b: 0.0, Ea: 1.0e+04}
- equation: IC8H18 + HO2 => C8H17 + H2O2  # Reaction 83
  rate-constant: {A: 5.0e+13, b: 0.0, Ea: 1.874e+04}
- equation: C8H17 + H2O2 => IC8H18 + HO2  # Reaction 84
  rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.04e+04}
- equation: IC8H18 + O2 => C8H17 + HO2  # Reaction 85
  rate-constant: {A: 1.0e+14, b: 0.0, Ea: 5.0271e+04}
- equation: C8H17 + HO2 => IC8H18 + O2  # Reaction 86
  rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1475.0}
- equation: IC8H18 + OH => C8H17 + H2O  # Reaction 87
  rate-constant: {A: 1.46e+08, b: 2.03, Ea: 0.0}
- equation: C8H17 + H2O => IC8H18 + OH  # Reaction 88
  rate-constant: {A: 5.0e+15, b: 0.0, Ea: 2.565e+04}
- equation: C8H17 => IC3H7 + C3H6 + C2H4  # Reaction 89
  rate-constant: {A: 3.0e+13, b: -1.27, Ea: 1.0e+04}
- equation: C8H17 + O2 => C8H17O2  # Reaction 90
  rate-constant: {A: 2.5e+12, b: 0.0, Ea: 465.0}
- equation: C8H17O2 => C8H17 + O2  # Reaction 91
  rate-constant: {A: 2.5e+15, b: 0.0, Ea: 3.13e+04}
- equation: C8H17O2 => C8H16OOH  # Reaction 92
  rate-constant: {A: 2.86e+10, b: 1.23, Ea: 2.2e+04}
- equation: C8H16OOH => C8H17O2  # Reaction 93
  rate-constant: {A: 1.372338e+08, b: 1.2849540893983, Ea: 6835.5605796388}
- equation: C8H17O2 <=> C8H16 + HO2  # Reaction 94
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 10.0 atm, A: 2.0e+14, b: 0.0, Ea: 2.6056e+04}
  - {P: 20.0 atm, A: 2.5e+14, b: 0.0, Ea: 2.6056e+04}
  - {P: 40.0 atm, A: 3.5e+14, b: 0.0, Ea: 2.6056e+04}
- equation: C8H16OOH + O2 => C8H16OOH-O2  # Reaction 95
  rate-constant: {A: 3.0e+14, b: 0.0, Ea: 0.0}
- equation: C8H16OOH-O2 => C8H16OOH + O2  # Reaction 96
  rate-constant: {A: 2.0e+15, b: 0.0, Ea: 3.39e+04}
- equation: C8H16OOH-O2 <=> IC8KET + OH  # Reaction 97
  rate-constant: {A: 2.53e+12, b: 0.0, Ea: 2.6e+04}
- equation: C8H16 + O2 => IC3H7 + CH4 + C2H2 + CH2O + HCO  # Reaction 98
  rate-constant: {A: 3.16e+13, b: 0.0, Ea: 1.0e+04}
- equation: IC8KET => CH2O + CH3 + OH + C4H8-1 + CH2CO  # Reaction 99
  rate-constant: {A: 1.0e+16, b: 0.0, Ea: 4.16e+04}
- equation: H2 + M <=> H + H + M  # Reaction 100
  type: three-body
  rate-constant: {A: 4.577e+19, b: -1.4, Ea: 1.044e+05}
  efficiencies: {CH4: 2.0, CO: 1.9, CO2: 3.8, H2: 2.5, H2O: 12.0}
- equation: H2 + O <=> H + OH  # Reaction 101
  rate-constant: {A: 5.08e+04, b: 2.67, Ea: 6292.0}
- equation: H2 + OH <=> H + H2O  # Reaction 102
  rate-constant: {A: 4.38e+13, b: 0.0, Ea: 6990.0}
- equation: O + O + M <=> O2 + M  # Reaction 103
  type: three-body
  rate-constant: {A: 6.165e+15, b: -0.5, Ea: 0.0}
  efficiencies: {CH4: 2.0, CO: 1.9, CO2: 3.8, H2: 2.5, H2O: 12.0}
- equation: O2 + H <=> O + OH  # Reaction 104
  rate-constant: {A: 1.04e+14, b: 0.0, Ea: 1.5286e+04}
- equation: H + OH + M <=> H2O + M  # Reaction 105
  type: three-body
  rate-constant: {A: 3.5e+22, b: -2.0, Ea: 0.0}
  efficiencies: {CH4: 2.0, H2: 0.73, H2O: 3.65}
- equation: O + H2O <=> OH + OH  # Reaction 106
  rate-constant: {A: 6.7e+07, b: 1.704, Ea: 1.49868e+04}
- equation: O + H + M <=> OH + M  # Reaction 107
  type: three-body
  rate-constant: {A: 4.714e+18, b: -1.0, Ea: 0.0}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.5, H2O: 12.0}
- equation: H2O2 (+ M) <=> OH + OH (+ M)  # Reaction 108
  type: falloff
  low-P-rate-constant: {A: 2.49e+24, b: -2.3, Ea: 4.8749e+04}
  high-P-rate-constant: {A: 2.0e+12, b: 0.9, Ea: 4.8749e+04}
  Troe: {A: 0.43, T3: 1.0e-30, T1: 1.0e+30}
  efficiencies: {CO: 2.8, CO2: 1.6, H2: 3.7, H2O: 7.65, H2O2: 7.7, O2: 1.2}
- equation: H2O2 + H <=> H2O + OH  # Reaction 109
  rate-constant: {A: 2.41e+13, b: 0.0, Ea: 3970.0}
- equation: H2O2 + H <=> H2 + HO2  # Reaction 110
  rate-constant: {A: 2.15e+10, b: 1.0, Ea: 6000.0}
- equation: H2O2 + O <=> OH + HO2  # Reaction 111
  rate-constant: {A: 9.55e+06, b: 2.0, Ea: 3970.0}
- equation: H2O2 + OH <=> H2O + HO2  # Reaction 112
  rate-constant: {A: 1.74e+12, b: 0.0, Ea: 318.0}
  duplicate: true
- equation: H2O2 + OH <=> H2O + HO2  # Reaction 113
  rate-constant: {A: 7.59e+13, b: 0.0, Ea: 7269.0}
  duplicate: true
- equation: HO2 + H <=> OH + OH  # Reaction 114
  rate-constant: {A: 7.079e+13, b: 0.0, Ea: 295.0}
- equation: HO2 + H <=> H2 + O2  # Reaction 115
  rate-constant: {A: 1.1402e+10, b: 1.0827, Ea: 553.78}
- equation: HO2 + O <=> OH + O2  # Reaction 116
  rate-constant: {A: 3.25e+13, b: 0.0, Ea: 0.0}
- equation: OH + HO2 <=> H2O + O2  # Reaction 117
  rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1092.96}
  duplicate: true
- equation: OH + HO2 <=> H2O + O2  # Reaction 118
  rate-constant: {A: 4.5e+14, b: 0.0, Ea: 1.09296e+04}
  duplicate: true
- equation: HO2 + HO2 <=> H2O2 + O2  # Reaction 119
  rate-constant: {A: 1.0e+14, b: 0.0, Ea: 1.10408832e+04}
  duplicate: true
- equation: HO2 + HO2 <=> H2O2 + O2  # Reaction 120
  rate-constant: {A: 1.9e+11, b: 0.0, Ea: -1408.9248}
  duplicate: true
- equation: H + O2 (+ M) <=> HO2 (+ M)  # Reaction 121
  type: falloff
  low-P-rate-constant: {A: 1.737e+19, b: -1.23, Ea: 0.0}
  high-P-rate-constant: {A: 4.65e+12, b: 0.44, Ea: 0.0}
  Troe: {A: 0.67, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30}
  efficiencies: {CH4: 2.0, CO: 1.9, CO2: 3.8, H2: 1.3, H2O: 10.0}
- equation: CO + O (+ M) <=> CO2 (+ M)  # Reaction 122
  type: falloff
  low-P-rate-constant: {A: 1.173e+24, b: -2.79, Ea: 4191.0}
  high-P-rate-constant: {A: 1.362e+10, b: 0.0, Ea: 2384.0}
  efficiencies: {CO: 1.75, CO2: 3.6, H2: 2.0, H2O: 12.0}
- equation: CO + OH <=> CO2 + H  # Reaction 123
  rate-constant: {A: 7.015e+04, b: 2.053, Ea: -355.7}
  duplicate: true
- equation: CO + OH <=> CO2 + H  # Reaction 124
  rate-constant: {A: 5.757e+12, b: -0.664, Ea: 331.8}
  duplicate: true
- equation: CO + HO2 <=> CO2 + OH  # Reaction 125
  rate-constant: {A: 1.57e+05, b: 2.18, Ea: 1.794e+04}
- equation: CO + O2 <=> CO2 + O  # Reaction 126
  rate-constant: {A: 1.119e+12, b: 0.0, Ea: 4.77e+04}
- equation: CH3 + H (+ M) <=> CH4 (+ M)  # Reaction 127
  type: falloff
  low-P-rate-constant: {A: 2.477e+33, b: -4.76, Ea: 2440.0}
  high-P-rate-constant: {A: 1.27e+16, b: -0.63, Ea: 383.0}
  Troe: {A: 0.783, T3: 74.0, T1: 2941.0, T2: 6964.0}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: CH4 + H <=> CH3 + H2  # Reaction 128
  rate-constant: {A: 6.14e+05, b: 2.5, Ea: 9587.0}
- equation: CH4 + O <=> CH3 + OH  # Reaction 129
  rate-constant: {A: 1.02e+09, b: 1.5, Ea: 8600.0}
- equation: CH4 + OH <=> CH3 + H2O  # Reaction 130
  rate-constant: {A: 5.83e+04, b: 2.6, Ea: 2190.0}
- equation: CH4 + HO2 <=> CH3 + H2O2  # Reaction 131
  rate-constant: {A: 11.3, b: 3.74, Ea: 2.101e+04}
- equation: CH3 + HO2 <=> CH4 + O2  # Reaction 132
  rate-constant: {A: 1.16e+05, b: 2.23, Ea: -3022.0}
- equation: CH4 + CH2 <=> CH3 + CH3  # Reaction 133
  rate-constant: {A: 2.46e+06, b: 2.0, Ea: 8270.0}
- equation: CH2 + H (+ M) <=> CH3 (+ M)  # Reaction 134
  type: falloff
  low-P-rate-constant: {A: 3.2e+27, b: -3.14, Ea: 1230.0}
  high-P-rate-constant: {A: 2.5e+16, b: -0.8, Ea: 0.0}
  Troe: {A: 0.68, T3: 78.0, T1: 1995.0, T2: 5590.0}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: CH2 + O2 <=> HCO + OH  # Reaction 135
  rate-constant: {A: 1.06e+13, b: 0.0, Ea: 1500.0}
- equation: CH2 + O2 => CO2 + H + H  # Reaction 136
  rate-constant: {A: 2.64e+12, b: 0.0, Ea: 1500.0}
- equation: CH2 + O => CO + H + H  # Reaction 137
  rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2 + H <=> CH + H2  # Reaction 138
  rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2 + OH <=> CH + H2O  # Reaction 139
  rate-constant: {A: 1.13e+07, b: 2.0, Ea: 3000.0}
- equation: CH + O2 <=> HCO + O  # Reaction 140
  rate-constant: {A: 3.3e+13, b: 0.0, Ea: 0.0}
- equation: CH + O <=> CO + H  # Reaction 141
  rate-constant: {A: 5.7e+13, b: 0.0, Ea: 0.0}
- equation: CH + OH <=> HCO + H  # Reaction 142
  rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: CH + H2O <=> H + CH2O  # Reaction 143
  rate-constant: {A: 1.774e+16, b: -1.22, Ea: 23.8}
- equation: CH + CO2 <=> HCO + CO  # Reaction 144
  rate-constant: {A: 1.7e+12, b: 0.0, Ea: 685.0}
- equation: CH3 + O2 (+ M) <=> CH3O2 (+ M)  # Reaction 145
  type: falloff
  low-P-rate-constant: {A: 6.85e+24, b: -3.0, Ea: 0.0}
  high-P-rate-constant: {A: 7.812e+09, b: 0.9, Ea: 0.0}
  Troe: {A: 0.6, T3: 1000.0, T1: 70.0, T2: 1700.0}
- equation: CH3 + O2 <=> CH3O + O  # Reaction 146
  rate-constant: {A: 7.546e+12, b: 0.0, Ea: 2.832e+04}
- equation: CH3 + O2 <=> CH2O + OH  # Reaction 147
  rate-constant: {A: 2.641, b: 3.283, Ea: 8105.0}
- equation: CH3 + O <=> CH2O + H  # Reaction 148
  rate-constant: {A: 5.54e+13, b: 0.05, Ea: -136.0}
- equation: CH3 + OH <=> CH2O + H2  # Reaction 149
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.01 atm, A: 3.502e+05, b: 1.441, Ea: -3244.0}
  - {P: 0.1 atm, A: 8.854e+05, b: 1.327, Ea: -2975.0}
  - {P: 1.0 atm, A: 1.65e+07, b: 0.973, Ea: -2010.0}
  - {P: 10.0 atm, A: 5.374e+09, b: 0.287, Ea: 280.0}
  - {P: 100.0 atm, A: 9.494e+18, b: -2.199, Ea: 9769.0}
- equation: CH3 + OH <=> CH2OH + H  # Reaction 150
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.01 atm, A: 1.621e+10, b: 0.965, Ea: 3214.0}
  - {P: 0.1 atm, A: 1.807e+10, b: 0.95, Ea: 3247.0}
  - {P: 1.0 atm, A: 4.686e+10, b: 0.833, Ea: 3566.0}
  - {P: 10.0 atm, A: 1.525e+13, b: 0.134, Ea: 5641.0}
  - {P: 100.0 atm, A: 3.59e+14, b: -0.186, Ea: 8601.0}
- equation: CH3 + OH <=> H + CH3O  # Reaction 151
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.01 atm, A: 1.186e+09, b: 1.016, Ea: 1.194e+04}
  - {P: 0.1 atm, A: 1.188e+09, b: 1.016, Ea: 1.194e+04}
  - {P: 1.0 atm, A: 1.23e+09, b: 1.011, Ea: 1.195e+04}
  - {P: 10.0 atm, A: 1.798e+09, b: 0.965, Ea: 1.206e+04}
  - {P: 100.0 atm, A: 5.242e+10, b: 0.551, Ea: 1.307e+04}
- equation: CH3 + OH <=> CH2 + H2O  # Reaction 152
  rate-constant: {A: 4.293e+04, b: 2.568, Ea: 3997.8}
- equation: CH3 + HO2 <=> CH3O + OH  # Reaction 153
  rate-constant: {A: 1.0e+12, b: 0.269, Ea: -687.5}
- equation: CH3O2 + O <=> CH3O + O2  # Reaction 154
  rate-constant: {A: 3.6e+13, b: 0.0, Ea: 0.0}
- equation: CH3O2 + H <=> CH3O + OH  # Reaction 155
  rate-constant: {A: 9.6e+13, b: 0.0, Ea: 0.0}
- equation: CH3O2 + OH <=> CH3OH + O2  # Reaction 156
  rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0}
- equation: CH3O2 + CH3 <=> CH3O + CH3O  # Reaction 157
  rate-constant: {A: 5.08e+12, b: 0.0, Ea: -1411.0}
- equation: CH3O2 + CH3O2 => CH2O + CH3OH + O2  # Reaction 158
  rate-constant: {A: 3.11e+14, b: -1.61, Ea: -1051.0}
- equation: CH3O2 + CH3O2 => O2 + CH3O + CH3O  # Reaction 159
  rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0}
- equation: CH3OH (+ M) <=> CH3 + OH (+ M)  # Reaction 160
  type: falloff
  low-P-rate-constant: {A: 1.5e+43, b: -6.995, Ea: 9.79922e+04}
  high-P-rate-constant: {A: 2.084e+18, b: -0.615, Ea: 9.25406e+04}
  Troe: {A: -0.4748, T3: 3.558e+04, T1: 1116.0, T2: 9023.0}
- equation: CH3OH (+ M) <=> CH2OH + H (+ M)  # Reaction 161
  type: falloff
  low-P-rate-constant: {A: 3.39e+42, b: -7.244, Ea: 1.052303e+05}
  high-P-rate-constant: {A: 7.896e-03, b: 5.038, Ea: 8.44674e+04}
  Troe: {A: -73.91, T3: 3.705e+04, T1: 4.15e+04, T2: 5220.0}
- equation: CH3OH + H <=> CH3O + H2  # Reaction 162
  rate-constant: {A: 1.99e+05, b: 2.56, Ea: 1.03e+04}
- equation: CH3OH + H <=> CH2OH + H2  # Reaction 163
  rate-constant: {A: 3.07e+05, b: 2.55, Ea: 5440.0}
- equation: CH3OH + O <=> CH3O + OH  # Reaction 164
  rate-constant: {A: 3.88e+04, b: 2.5, Ea: 3080.0}
- equation: CH3OH + O <=> CH2OH + OH  # Reaction 165
  rate-constant: {A: 3.88e+05, b: 2.5, Ea: 3080.0}
- equation: CH3OH + OH <=> CH3O + H2O  # Reaction 166
  rate-constant: {A: 150.0, b: 3.03, Ea: -763.0}
- equation: CH3OH + OH <=> CH2OH + H2O  # Reaction 167
  rate-constant: {A: 3.08e+04, b: 2.65, Ea: -806.7}
- equation: CH3OH + O2 <=> CH3O + HO2  # Reaction 168
  rate-constant: {A: 3.58e+04, b: 2.27, Ea: 4.27645e+04}
- equation: CH3OH + O2 <=> CH2OH + HO2  # Reaction 169
  rate-constant: {A: 3.58e+05, b: 2.27, Ea: 4.27645e+04}
- equation: CH3OH + HO2 <=> CH3O + H2O2  # Reaction 170
  rate-constant: {A: 1.22e+12, b: 0.0, Ea: 2.00707e+04}
- equation: CH3OH + HO2 <=> CH2OH + H2O2  # Reaction 171
  rate-constant: {A: 3.26e+13, b: 0.0, Ea: 1.87822e+04}
- equation: CH3OH + CH3 <=> CH2OH + CH4  # Reaction 172
  rate-constant: {A: 0.213, b: 3.953, Ea: 7055.1}
- equation: CH3OH + CH3 <=> CH3O + CH4  # Reaction 173
  rate-constant: {A: 3220.0, b: 2.425, Ea: 8579.5}
- equation: CH3OH + HCO <=> CH2OH + CH2O  # Reaction 174
  rate-constant: {A: 9630.0, b: 2.9, Ea: 1.311e+04}
- equation: CH3OH + CH3O <=> CH2OH + CH3OH  # Reaction 175
  rate-constant: {A: 3.0e+11, b: 0.0, Ea: 4074.0}
- equation: CH2OH + O2 <=> CH2O + HO2  # Reaction 176
  rate-constant: {A: 1.51e+15, b: -1.0, Ea: 0.0}
  duplicate: true
- equation: CH2OH + O2 <=> CH2O + HO2  # Reaction 177
  rate-constant: {A: 2.41e+14, b: 0.0, Ea: 5017.0}
  duplicate: true
- equation: CH2OH + H <=> CH2O + H2  # Reaction 178
  rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0}
- equation: CH2OH + HO2 <=> CH2O + H2O2  # Reaction 179
  rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0}
- equation: CH2OH + HCO <=> CH2O + CH2O  # Reaction 180
  rate-constant: {A: 1.8e+14, b: 0.0, Ea: 0.0}
- equation: CH2OH + HCO <=> CH3OH + CO  # Reaction 181
  rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2OH + CH3O <=> CH2O + CH3OH  # Reaction 182
  rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0}
- equation: CH2OH + OH <=> H2O + CH2O  # Reaction 183
  rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0}
- equation: CH2OH + O <=> OH + CH2O  # Reaction 184
  rate-constant: {A: 4.2e+13, b: 0.0, Ea: 0.0}
- equation: CH2OH + CH2OH <=> CH2O + CH3OH  # Reaction 185
  rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0}
- equation: CH3O + O2 <=> CH2O + HO2  # Reaction 186
  rate-constant: {A: 4.38e-19, b: 9.5, Ea: -5501.0}
- equation: CH3O + H <=> CH2O + H2  # Reaction 187
  rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
- equation: CH3O + HO2 <=> CH2O + H2O2  # Reaction 188
  rate-constant: {A: 3.01e+11, b: 0.0, Ea: 0.0}
- equation: CH3O + CH3 <=> CH2O + CH4  # Reaction 189
  rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0}
- equation: CH3O + CH3O <=> CH3OH + CH2O  # Reaction 190
  rate-constant: {A: 6.03e+13, b: 0.0, Ea: 0.0}
- equation: HCO + H (+ M) <=> CH2O (+ M)  # Reaction 191
  type: falloff
  low-P-rate-constant: {A: 1.35e+24, b: -2.57, Ea: 1425.0}
  high-P-rate-constant: {A: 1.09e+12, b: 0.48, Ea: -260.0}
  Troe: {A: 0.7824, T3: 271.0, T1: 2755.0, T2: 6570.0}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: CO + H2 (+ M) <=> CH2O (+ M)  # Reaction 192
  type: falloff
  low-P-rate-constant: {A: 5.07e+27, b: -3.42, Ea: 8.4348e+04}
  high-P-rate-constant: {A: 4.3e+07, b: 1.5, Ea: 7.96e+04}
  Troe: {A: 0.932, T3: 197.0, T1: 1540.0, T2: 1.03e+04}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: CH2O + O2 <=> HCO + HO2  # Reaction 193
  rate-constant: {A: 8.07e+15, b: 0.0, Ea: 5.342e+04}
- equation: CH2O + O <=> HCO + OH  # Reaction 194
  rate-constant: {A: 6.26e+09, b: 1.15, Ea: 2260.0}
- equation: CH2O + H <=> HCO + H2  # Reaction 195
  rate-constant: {A: 5.74e+07, b: 1.9, Ea: 2740.0}
- equation: CH2O + OH <=> HCO + H2O  # Reaction 196
  rate-constant: {A: 7.82e+04, b: 1.63, Ea: -1055.0}
- equation: CH2O + HO2 <=> HCO + H2O2  # Reaction 197
  rate-constant: {A: 1.88e+04, b: 2.7, Ea: 1.152e+04}
- equation: CH2O + CH3 <=> HCO + CH4  # Reaction 198
  rate-constant: {A: 38.3, b: 3.36, Ea: 4312.0}
- equation: CH2O + CH3O <=> HCO + CH3OH  # Reaction 199
  rate-constant: {A: 6.62e+11, b: 0.0, Ea: 2294.0}
- equation: HCO + M <=> H + CO + M  # Reaction 200
  type: three-body
  rate-constant: {A: 5.7e+11, b: 0.66, Ea: 1.487e+04}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: HCO + O2 <=> CO + HO2  # Reaction 201
  rate-constant: {A: 7.58e+12, b: 0.0, Ea: 410.0}
- equation: HCO + O <=> CO + OH  # Reaction 202
  rate-constant: {A: 3.02e+13, b: 0.0, Ea: 0.0}
- equation: HCO + H <=> CO + H2  # Reaction 203
  rate-constant: {A: 7.34e+13, b: 0.0, Ea: 0.0}
- equation: HCO + OH <=> CO + H2O  # Reaction 204
  rate-constant: {A: 3.011e+13, b: 0.0, Ea: 0.0}
- equation: HCO + CH3 <=> CH4 + CO  # Reaction 205
  rate-constant: {A: 2.65e+13, b: 0.0, Ea: 0.0}
- equation: HCO + HCO <=> CH2O + CO  # Reaction 206
  rate-constant: {A: 1.8e+13, b: 0.0, Ea: 0.0}
- equation: HCO + O <=> CO2 + H  # Reaction 207
  rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: HCO + HO2 => CO2 + H + OH  # Reaction 208
  rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: HCO + HCO => H2 + CO + CO  # Reaction 209
  rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0}
- equation: CH2O + H (+ M) <=> CH2OH (+ M)  # Reaction 210
  type: falloff
  low-P-rate-constant: {A: 1.27e+32, b: -4.82, Ea: 6530.0}
  high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 3600.0}
  Troe: {A: 0.7187, T3: 103.0, T1: 1291.0, T2: 4160.0}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: CH3O (+ M) <=> CH2O + H (+ M)  # Reaction 211
  type: falloff
  low-P-rate-constant: {A: 1.867e+25, b: -3.0, Ea: 2.4307e+04}
  high-P-rate-constant: {A: 6.8e+13, b: 0.0, Ea: 2.617e+04}
  Troe: {A: 0.9, T3: 2500.0, T1: 1300.0, T2: 1.0e+99}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: C2H4 + H (+ M) <=> C2H5 (+ M)  # Reaction 212
  type: falloff
  low-P-rate-constant: {A: 1.419e+39, b: -6.642, Ea: 5769.0}
  high-P-rate-constant: {A: 9.569e+08, b: 1.463, Ea: 1355.0}
  Troe: {A: -0.569, T3: 299.0, T1: -9147.0, T2: 152.4}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: C2H5 + H <=> C2H4 + H2  # Reaction 213
  rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0}
- equation: C2H4 + C2H4 <=> C2H5 + C2H3  # Reaction 214
  rate-constant: {A: 4.82e+14, b: 0.0, Ea: 7.153e+04}
- equation: C2H5 + CH3 <=> CH4 + C2H4  # Reaction 215
  rate-constant: {A: 1.18e+04, b: 2.45, Ea: -2921.0}
- equation: CH3 + CH3 <=> H + C2H5  # Reaction 216
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.01 atm, A: 4.74e+12, b: 0.105, Ea: 1.06643e+04}
  - {P: 0.1 atm, A: 2.57e+13, b: -0.096, Ea: 1.14061e+04}
  - {P: 1.0 atm, A: 3.1e+14, b: -0.362, Ea: 1.33725e+04}
  - {P: 10.0 atm, A: 2.15e+10, b: 0.885, Ea: 1.35325e+04}
  - {P: 100.0 atm, A: 103.2, b: 3.23, Ea: 1.12361e+04}
- equation: C2H5 + O2 <=> C2H4 + HO2  # Reaction 217
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.04 atm, A: 2.094e+09, b: 0.49, Ea: -391.4}
  - {P: 1.0 atm, A: 1.843e+07, b: 1.13, Ea: -720.6}
  - {P: 10.0 atm, A: 7.561e+14, b: -1.01, Ea: 4749.0}
- equation: C2H3 + H (+ M) <=> C2H4 (+ M)  # Reaction 218
  type: falloff
  low-P-rate-constant: {A: 1.4e+30, b: -3.86, Ea: 3320.0}
  high-P-rate-constant: {A: 6.08e+12, b: 0.27, Ea: 280.0}
  Troe: {A: 0.782, T3: 207.5, T1: 2663.0, T2: 6095.0}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: C2H4 + O2 <=> C2H3 + HO2  # Reaction 219
  rate-constant: {A: 4.22e+13, b: 0.0, Ea: 5.76231e+04}
- equation: C2H4 + H <=> C2H3 + H2  # Reaction 220
  rate-constant: {A: 5.07e+07, b: 1.93, Ea: 1.295e+04}
- equation: C2H4 + OH <=> C2H3 + H2O  # Reaction 221
  rate-constant: {A: 6.69e+04, b: 2.745, Ea: 2215.5}
- equation: C2H4 + CH3O <=> C2H3 + CH3OH  # Reaction 222
  rate-constant: {A: 1.2e+11, b: 0.0, Ea: 6750.0}
- equation: C2H4 + CH3 <=> C2H3 + CH4  # Reaction 223
  rate-constant: {A: 976.0, b: 2.947, Ea: 1.5148e+04}
  duplicate: true
- equation: C2H4 + CH3 <=> C2H3 + CH4  # Reaction 224
  rate-constant: {A: 8.13e-05, b: 4.417, Ea: 8835.8}
  duplicate: true
- equation: C2H4 + O <=> CH3 + HCO  # Reaction 225
  rate-constant: {A: 7.453e+06, b: 1.88, Ea: 183.0}
- equation: CH + CH4 <=> C2H4 + H  # Reaction 226
  rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0}
- equation: C2H4 + OH <=> CH3 + CH2O  # Reaction 227
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.01 atm, A: 5.35, b: 2.92, Ea: -1732.7}
  - {P: 0.025 atm, A: 31.9, b: 2.71, Ea: -1172.3}
  - {P: 0.1 atm, A: 555.0, b: 2.36, Ea: -180.8}
  - {P: 1.0 atm, A: 1.78e+05, b: 1.68, Ea: 2060.5}
  - {P: 10.0 atm, A: 2.37e+09, b: 0.56, Ea: 6006.7}
  - {P: 100.0 atm, A: 2.76e+13, b: -0.5, Ea: 1.14551e+04}
- equation: C2H2 + H (+ M) <=> C2H3 (+ M)  # Reaction 228
  type: falloff
  low-P-rate-constant: {A: 6.346e+31, b: -4.664, Ea: 3780.0}
  high-P-rate-constant: {A: 1.71e+10, b: 1.266, Ea: 2709.0}
  Troe: {A: 0.788, T3: -1.02e+04, T1: 1.0e-30}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: C2H3 + O2 <=> C2H2 + HO2  # Reaction 229
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 1.08e+07, b: 1.28, Ea: 3322.0}
  - {P: 0.1 atm, A: 7.75e+06, b: 1.33, Ea: 3216.0}
  - {P: 0.316 atm, A: 1.21e+07, b: 1.27, Ea: 3311.0}
  - {P: 1.0 atm, A: 2.15e+07, b: 1.19, Ea: 3367.0}
  - {P: 3.16 atm, A: 1.13e+08, b: 1.0, Ea: 3695.0}
  - {P: 10.0 atm, A: 1.31e+11, b: 0.12, Ea: 5872.0}
  - {P: 31.6 atm, A: 1.19e+09, b: 0.82, Ea: 5617.0}
  - {P: 100.0 atm, A: 1.06e+17, b: -1.45, Ea: 1.223e+04}
- equation: C2H3 + O2 <=> C2H2 + HO2  # Reaction 230
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 47.6, b: 2.75, Ea: -796.4}
  - {P: 0.1 atm, A: 51.6, b: 2.73, Ea: -768.3}
  - {P: 0.316 atm, A: 55.5, b: 2.73, Ea: -658.5}
  - {P: 1.0 atm, A: 46.0, b: 2.76, Ea: -492.8}
  - {P: 3.16 atm, A: 3.75, b: 3.07, Ea: -601.0}
  - {P: 10.0 atm, A: 5.48, b: 3.07, Ea: 85.7}
  - {P: 31.6 atm, A: 4.47e+08, b: 0.0, Ea: 955.0}
  - {P: 100.0 atm, A: 20.2, b: 2.94, Ea: 1847.0}
- equation: C2H3 + O2 <=> CH2CO + OH  # Reaction 231
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 866.0, b: 2.41, Ea: 6061.0}
  - {P: 0.1 atm, A: 891.0, b: 2.41, Ea: 6078.0}
  - {P: 0.316 atm, A: 943.0, b: 2.4, Ea: 6112.0}
  - {P: 1.0 atm, A: 1060.0, b: 2.39, Ea: 6180.0}
  - {P: 3.16 atm, A: 1090.0, b: 2.38, Ea: 6179.0}
  - {P: 10.0 atm, A: 1390.0, b: 2.36, Ea: 6074.0}
  - {P: 31.6 atm, A: 2.49e+06, b: 1.42, Ea: 8480.0}
  - {P: 100.0 atm, A: 1.66e+10, b: 0.36, Ea: 1.201e+04}
- equation: C2H3 + O2 <=> CH2CO + OH  # Reaction 232
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 0.182, b: 3.12, Ea: 1331.0}
  - {P: 0.1 atm, A: 0.207, b: 3.11, Ea: 1383.0}
  - {P: 0.316 atm, A: 0.271, b: 3.08, Ea: 1496.0}
  - {P: 1.0 atm, A: 0.526, b: 3.01, Ea: 1777.0}
  - {P: 3.16 atm, A: 1.37, b: 2.9, Ea: 2225.0}
  - {P: 10.0 atm, A: 0.419, b: 2.93, Ea: 2052.0}
  - {P: 31.6 atm, A: 1.19e-04, b: 4.21, Ea: 2043.0}
  - {P: 100.0 atm, A: 1.3e-03, b: 3.97, Ea: 3414.0}
- equation: C2H3 + O2 <=> CH2O + HCO  # Reaction 233
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 2.49e+36, b: -7.6, Ea: 1.264e+04}
  - {P: 0.1 atm, A: 2.43e+36, b: -7.6, Ea: 1.261e+04}
  - {P: 0.316 atm, A: 1.95e+36, b: -7.57, Ea: 1.249e+04}
  - {P: 1.0 atm, A: 2.73e+35, b: -7.32, Ea: 1.182e+04}
  - {P: 3.16 atm, A: 1.43e+36, b: -7.47, Ea: 1.246e+04}
  - {P: 10.0 atm, A: 5.18e+35, b: -7.2, Ea: 1.343e+04}
  - {P: 31.6 atm, A: 3.19e+20, b: -2.57, Ea: 5578.0}
  - {P: 100.0 atm, A: 2.73e+33, b: -6.28, Ea: 1.6e+04}
- equation: C2H3 + O2 <=> CH2O + HCO  # Reaction 234
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 4.54e+15, b: -1.28, Ea: 515.3}
  - {P: 0.1 atm, A: 4.59e+15, b: -1.28, Ea: 513.0}
  - {P: 0.316 atm, A: 4.81e+15, b: -1.29, Ea: 520.6}
  - {P: 1.0 atm, A: 6.08e+15, b: -1.31, Ea: 645.7}
  - {P: 3.16 atm, A: 9.45e+15, b: -1.36, Ea: 1066.0}
  - {P: 10.0 atm, A: 2.56e+15, b: -1.18, Ea: 1429.0}
  - {P: 31.6 atm, A: 1.03e+69, b: -19.23, Ea: 1.476e+04}
  - {P: 100.0 atm, A: 4.21e+10, b: 0.19, Ea: 830.6}
- equation: C2H3 + O2 => CH2O + H + CO  # Reaction 235
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 5.82e+36, b: -7.6, Ea: 1.264e+04}
  - {P: 0.1 atm, A: 5.66e+36, b: -7.6, Ea: 1.261e+04}
  - {P: 0.316 atm, A: 4.55e+36, b: -7.57, Ea: 1.249e+04}
  - {P: 1.0 atm, A: 6.36e+35, b: -7.32, Ea: 1.182e+04}
  - {P: 3.16 atm, A: 3.35e+36, b: -7.47, Ea: 1.246e+04}
  - {P: 10.0 atm, A: 1.21e+36, b: -7.2, Ea: 1.343e+04}
  - {P: 31.6 atm, A: 7.43e+20, b: -2.57, Ea: 5578.0}
  - {P: 100.0 atm, A: 6.36e+33, b: -6.28, Ea: 1.6e+04}
- equation: C2H3 + O2 => CH2O + H + CO  # Reaction 236
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 1.06e+16, b: -1.28, Ea: 515.3}
  - {P: 0.1 atm, A: 1.07e+16, b: -1.28, Ea: 513.0}
  - {P: 0.316 atm, A: 1.13e+16, b: -1.29, Ea: 520.6}
  - {P: 1.0 atm, A: 1.42e+16, b: -1.31, Ea: 645.7}
  - {P: 3.16 atm, A: 2.2e+16, b: -1.36, Ea: 1066.0}
  - {P: 10.0 atm, A: 5.98e+15, b: -1.18, Ea: 1429.0}
  - {P: 31.6 atm, A: 2.39e+69, b: -19.23, Ea: 1.476e+04}
  - {P: 100.0 atm, A: 9.81e+10, b: 0.19, Ea: 830.6}
- equation: C2H3 + O2 <=> CO + CH3O  # Reaction 237
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 8.19e+18, b: -2.66, Ea: 3201.0}
  - {P: 0.1 atm, A: 4.06e+14, b: -1.32, Ea: 885.8}
  - {P: 0.316 atm, A: 4.34e+14, b: -1.33, Ea: 900.6}
  - {P: 1.0 atm, A: 1.03e+11, b: -0.33, Ea: -747.8}
  - {P: 3.16 atm, A: 1.89e+12, b: -3.0, Ea: -8995.0}
  - {P: 10.0 atm, A: 1.93e+24, b: -5.63, Ea: 1.8}
  - {P: 31.6 atm, A: 1.1e+18, b: -2.22, Ea: 5178.0}
  - {P: 100.0 atm, A: 5.79e+32, b: -6.45, Ea: 1.681e+04}
- equation: C2H3 + O2 <=> CO + CH3O  # Reaction 238
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 1.29e+09, b: 0.18, Ea: -1717.0}
  - {P: 0.1 atm, A: 5.99e+11, b: -2.93, Ea: -9564.0}
  - {P: 0.316 atm, A: 2.91e+11, b: -2.93, Ea: -1.012e+04}
  - {P: 1.0 atm, A: 5.77e+21, b: -3.54, Ea: 4772.0}
  - {P: 3.16 atm, A: 4.99e+15, b: -1.62, Ea: 1849.0}
  - {P: 10.0 atm, A: 9.33e+16, b: -1.96, Ea: 3324.0}
  - {P: 31.6 atm, A: 1.02e+72, b: -20.69, Ea: 1.586e+04}
  - {P: 100.0 atm, A: 1.1e+09, b: 0.31, Ea: 1024.0}
- equation: C2H3 + O2 <=> CO2 + CH3  # Reaction 239
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 2.37e+35, b: -7.76, Ea: 1.263e+04}
  - {P: 0.1 atm, A: 1.73e+35, b: -7.72, Ea: 1.252e+04}
  - {P: 0.316 atm, A: 4.47e+34, b: -7.55, Ea: 1.214e+04}
  - {P: 1.0 atm, A: 7.25e+31, b: -6.7, Ea: 1.044e+04}
  - {P: 3.16 atm, A: 3.63e+35, b: -7.75, Ea: 1.283e+04}
  - {P: 10.0 atm, A: 2.09e+35, b: -7.53, Ea: 1.405e+04}
  - {P: 31.6 atm, A: 3.84e+18, b: -2.44, Ea: 5408.0}
  - {P: 100.0 atm, A: 1.21e+32, b: -6.32, Ea: 1.619e+04}
- equation: C2H3 + O2 <=> CO2 + CH3  # Reaction 240
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 6.27e+13, b: -1.16, Ea: 406.3}
  - {P: 0.1 atm, A: 6.24e+13, b: -1.16, Ea: 401.4}
  - {P: 0.316 atm, A: 6.12e+13, b: -1.16, Ea: 397.0}
  - {P: 1.0 atm, A: 5.32e+13, b: -1.14, Ea: 446.7}
  - {P: 3.16 atm, A: 1.45e+14, b: -1.26, Ea: 987.7}
  - {P: 10.0 atm, A: 5.02e+13, b: -1.11, Ea: 1409.0}
  - {P: 31.6 atm, A: 1.4e+70, b: -20.11, Ea: 1.543e+04}
  - {P: 100.0 atm, A: 9.21e+08, b: 0.25, Ea: 855.3}
- equation: C2H3 + H <=> C2H2 + H2  # Reaction 241
  rate-constant: {A: 1.7e+14, b: 0.0, Ea: 0.0}
- equation: C2H3 + OH <=> C2H2 + H2O  # Reaction 242
  rate-constant: {A: 3.011e+13, b: 0.0, Ea: 0.0}
- equation: C2H3 + CH3 <=> CH4 + C2H2  # Reaction 243
  rate-constant: {A: 3.92e+11, b: 0.0, Ea: 0.0}
- equation: C2H3 + C2H3 <=> C2H2 + C2H4  # Reaction 244
  rate-constant: {A: 9.6e+11, b: 0.0, Ea: 0.0}
- equation: C2H2 + O <=> CH2 + CO  # Reaction 245
  rate-constant: {A: 7.395e+08, b: 1.28, Ea: 2472.0}
- equation: C2H2 + O <=> HCCO + H  # Reaction 246
  rate-constant: {A: 2.958e+09, b: 1.28, Ea: 2472.0}
- equation: C2H2 + HO2 <=> CH2CO + OH  # Reaction 247
  rate-constant: {A: 6.03e+09, b: 0.0, Ea: 7949.0}
- equation: C2H2 + HCO <=> C2H3 + CO  # Reaction 248
  rate-constant: {A: 1.0e+07, b: 2.0, Ea: 6000.0}
- equation: C2H2 + OH <=> CH2CO + H  # Reaction 249
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.01 atm, A: 1578.0, b: 2.56, Ea: -844.5}
  - {P: 0.025 atm, A: 1.518e+04, b: 2.28, Ea: -292.1}
  - {P: 0.1 atm, A: 3.017e+05, b: 1.92, Ea: 598.1}
  - {P: 1.0 atm, A: 7.528e+06, b: 1.55, Ea: 2106.0}
  - {P: 10.0 atm, A: 5.101e+06, b: 1.65, Ea: 3400.0}
  - {P: 100.0 atm, A: 1.457e+04, b: 2.45, Ea: 4477.0}
- equation: C2H2 + OH <=> CH3 + CO  # Reaction 250
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.01 atm, A: 4.757e+05, b: 1.68, Ea: -329.8}
  - {P: 0.025 atm, A: 4.372e+06, b: 1.4, Ea: 226.5}
  - {P: 0.1 atm, A: 7.648e+07, b: 1.05, Ea: 1115.0}
  - {P: 1.0 atm, A: 1.277e+09, b: 0.73, Ea: 2579.0}
  - {P: 10.0 atm, A: 4.312e+08, b: 0.92, Ea: 3736.0}
  - {P: 100.0 atm, A: 8.25e+05, b: 1.77, Ea: 4697.0}
- equation: CH3CO (+ M) <=> CH3 + CO (+ M)  # Reaction 251
  type: falloff
  low-P-rate-constant: {A: 5.65e+18, b: -0.97, Ea: 1.46e+04}
  high-P-rate-constant: {A: 1.07e+12, b: 0.63, Ea: 1.69e+04}
  Troe: {A: 0.629, T3: 8.73e+09, T1: 5.52, T2: 7.6e+07}
- equation: CH3CO (+ M) <=> CH2CO + H (+ M)  # Reaction 252
  type: falloff
  low-P-rate-constant: {A: 1.516e+51, b: -10.27, Ea: 5.539e+04}
  high-P-rate-constant: {A: 9.413e+07, b: 1.917, Ea: 4.49872e+04}
  Troe: {A: 0.6009, T3: 8.103e+09, T1: 667.7, T2: 5.0e+09}
- equation: CH3CO + H <=> CH2CO + H2  # Reaction 253
  rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
- equation: CH3CO + O <=> CH2CO + OH  # Reaction 254
  rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
- equation: CH3CO + CH3 <=> CH2CO + CH4  # Reaction 255
  rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2 + CO (+ M) <=> CH2CO (+ M)  # Reaction 256
  type: falloff
  low-P-rate-constant: {A: 2.69e+33, b: -5.11, Ea: 7095.0}
  high-P-rate-constant: {A: 8.1e+11, b: 0.0, Ea: 0.0}
  Troe: {A: 0.5907, T3: 275.0, T1: 1226.0, T2: 5185.0}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: CH2CO + H <=> HCCO + H2  # Reaction 257
  rate-constant: {A: 1.401e+15, b: -0.171, Ea: 8783.2}
- equation: CH2CO + O <=> HCCO + OH  # Reaction 258
  rate-constant: {A: 1.0e+13, b: 0.0, Ea: 8000.0}
- equation: CH2CO + OH <=> HCCO + H2O  # Reaction 259
  rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2000.0}
- equation: CH2CO + H <=> CH3 + CO  # Reaction 260
  rate-constant: {A: 7.704e+13, b: -0.171, Ea: 4183.2}
- equation: CH + CH2O <=> H + CH2CO  # Reaction 261
  rate-constant: {A: 9.46e+13, b: 0.0, Ea: -515.0}
- equation: CH2CO + O <=> CH2 + CO2  # Reaction 262
  rate-constant: {A: 1.75e+12, b: 0.0, Ea: 1350.0}
- equation: CH2CO + OH <=> CH2OH + CO  # Reaction 263
  rate-constant: {A: 2.0e+12, b: 0.0, Ea: -1010.0}
- equation: CH2CO + CH3 <=> C2H5 + CO  # Reaction 264
  rate-constant: {A: 4.769e+04, b: 2.312, Ea: 9468.0}
- equation: HCCO + OH => H2 + CO + CO  # Reaction 265
  rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0}
- equation: HCCO + O => H + CO + CO  # Reaction 266
  rate-constant: {A: 8.0e+13, b: 0.0, Ea: 0.0}
- equation: CH + CO + M <=> HCCO + M  # Reaction 267
  type: three-body
  rate-constant: {A: 7.57e+22, b: -1.9, Ea: 0.0}
- equation: HCCO + O2 => OH + CO + CO  # Reaction 268
  rate-constant: {A: 1.91e+11, b: -0.02, Ea: 1020.0}
- equation: HCCO + O2 => CO2 + CO + H  # Reaction 269
  rate-constant: {A: 4.78e+12, b: -0.142, Ea: 1150.0}
- equation: CH + HCCO <=> CO + C2H2  # Reaction 270
  rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
- equation: CH3O + HCO <=> CH3OH + CO  # Reaction 271
  rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0}
- equation: IC3H7 + H <=> C2H5 + CH3  # Reaction 272
  rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
- equation: IC3H7 + OH <=> C3H6 + H2O  # Reaction 273
  rate-constant: {A: 2.41e+13, b: 0.0, Ea: 0.0}
- equation: C2H3 + CH3 <=> C3H5-A + H  # Reaction 274
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 4.12e+29, b: -4.95, Ea: 8000.0}
  - {P: 0.1 atm, A: 4.86e+30, b: -5.03, Ea: 1.13e+04}
  - {P: 1.0 atm, A: 5.3e+29, b: -4.57, Ea: 1.44e+04}
  - {P: 10.0 atm, A: 1.32e+30, b: -4.54, Ea: 1.93e+04}
  - {P: 100.0 atm, A: 5.16e+28, b: -4.03, Ea: 2.38e+04}
- equation: C2H3 + CH3 <=> C3H5-A + H  # Reaction 275
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 5.73e+15, b: -0.77, Ea: 1195.9}
  - {P: 0.1 atm, A: 2.06e+13, b: -0.074, Ea: 1428.7}
  - {P: 1.0 atm, A: 4.48e+10, b: 0.6, Ea: 1421.6}
  - {P: 10.0 atm, A: 4.1e+06, b: 1.71, Ea: 1056.9}
  - {P: 100.0 atm, A: 0.137, b: 3.91, Ea: -353.55}
- equation: C3H6 <=> C2H3 + CH3  # Reaction 276
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.01 atm, A: 1.88e+78, b: -18.7, Ea: 1.3e+05}
  - {P: 0.1 atm, A: 8.73e+76, b: -17.9, Ea: 1.32e+05}
  - {P: 1.0 atm, A: 5.8e+75, b: -17.2, Ea: 1.34e+05}
  - {P: 10.0 atm, A: 8.12e+71, b: -15.8, Ea: 1.36e+05}
  - {P: 100.0 atm, A: 2.15e+64, b: -13.4, Ea: 1.35e+05}
- equation: C3H6 <=> C3H5-A + H  # Reaction 277
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 9.16e+74, b: -17.6, Ea: 1.2e+05}
  - {P: 0.1 atm, A: 1.73e+70, b: -16.0, Ea: 1.2e+05}
  - {P: 1.0 atm, A: 1.08e+71, b: -15.9, Ea: 1.2486e+05}
  - {P: 10.0 atm, A: 6.4e+65, b: -14.2, Ea: 1.25e+05}
  - {P: 100.0 atm, A: 8.05e+56, b: -11.5, Ea: 1.22e+05}
- equation: C3H6 <=> C3H5-A + H  # Reaction 278
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 0.01 atm, A: 2.98e+54, b: -12.3, Ea: 1.012e+05}
  - {P: 0.1 atm, A: 1.37e+43, b: -8.87, Ea: 9.6365e+04}
  - {P: 1.0 atm, A: 6.28e+42, b: -8.51, Ea: 9.8004e+04}
  - {P: 10.0 atm, A: 4.73e+35, b: -6.26, Ea: 9.5644e+04}
  - {P: 100.0 atm, A: 4.34e+28, b: -4.06, Ea: 9.3114e+04}
- equation: C3H6 + H <=> C3H5-A + H2  # Reaction 279
  rate-constant: {A: 3.644e+05, b: 2.455, Ea: 4361.2}
- equation: C3H6 + O2 <=> C3H5-A + HO2  # Reaction 280
  rate-constant: {A: 5.96e+19, b: -1.67, Ea: 4.61921e+04}
- equation: C3H6 + O <=> C3H5-A + OH  # Reaction 281
  rate-constant: {A: 1.05e+11, b: 0.7, Ea: 5884.0}
- equation: C3H6 + OH <=> C3H5-A + H2O  # Reaction 282
  rate-constant: {A: 7.43e+05, b: 2.072, Ea: 1050.8}
- equation: C3H6 + HO2 <=> C3H5-A + H2O2  # Reaction 283
  rate-constant: {A: 0.0307, b: 4.403, Ea: 1.35472e+04}
- equation: C3H6 + CH3 <=> C3H5-A + CH4  # Reaction 284
  rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0}
- equation: C3H6 + CH3O <=> C3H5-A + CH3OH  # Reaction 285
  rate-constant: {A: 8.4e+10, b: 0.0, Ea: 2600.0}
- equation: C3H6 + H <=> C2H4 + CH3  # Reaction 286
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 1.3e-03 atm, A: 1.54e+09, b: 1.35, Ea: 2542.0}
  - {P: 0.04 atm, A: 7.88e+10, b: 0.87, Ea: 3599.6}
  - {P: 1.0 atm, A: 2.67e+12, b: 0.47, Ea: 5431.1}
  - {P: 10.0 atm, A: 9.25e+22, b: -2.6, Ea: 1.2898e+04}
  - {P: 100.0 atm, A: 1.32e+23, b: -2.42, Ea: 1.65e+04}
- equation: C3H6 + H <=> C2H4 + CH3  # Reaction 287
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 1.3e-03 atm, A: 1.0e-10, b: 0.0, Ea: 0.0}
  - {P: 0.04 atm, A: 1.0e-10, b: 0.0, Ea: 0.0}
  - {P: 1.0 atm, A: 1.0e-10, b: 0.0, Ea: 0.0}
  - {P: 10.0 atm, A: 1.24e+05, b: 2.52, Ea: 3679.1}
  - {P: 100.0 atm, A: 2510.0, b: 2.91, Ea: 3980.9}
- equation: C3H6 + H <=> IC3H7  # Reaction 288
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 1.3e-03 atm, A: 1.35e+44, b: -10.68, Ea: 8196.4}
  - {P: 0.04 atm, A: 2.11e+57, b: -14.23, Ea: 1.5147e+04}
  - {P: 1.0 atm, A: 3.26e+61, b: -14.94, Ea: 2.0161e+04}
  - {P: 10.0 atm, A: 5.3e+56, b: -13.12, Ea: 2.0667e+04}
  - {P: 100.0 atm, A: 1.11e+50, b: -10.8, Ea: 2.0202e+04}
- equation: C3H6 + H <=> IC3H7  # Reaction 289
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 1.3e-03 atm, A: 2.17e+130, b: -32.58, Ea: 1.3614e+05}
  - {P: 0.04 atm, A: 2.25e+29, b: -5.84, Ea: 4241.9}
  - {P: 1.0 atm, A: 1.06e+30, b: -5.63, Ea: 5613.4}
  - {P: 10.0 atm, A: 6.11e+26, b: -4.44, Ea: 5182.3}
  - {P: 100.0 atm, A: 2.73e+23, b: -3.26, Ea: 4597.0}
- equation: C3H6 + HO2 <=> IC3H7 + O2  # Reaction 290
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.013 atm, A: 1.02e+07, b: 1.16, Ea: 1.0273e+04}
  - {P: 0.9869 atm, A: 1.31e+20, b: -2.58, Ea: 1.9078e+04}
  - {P: 9.87 atm, A: 4.14e+28, b: -4.92, Ea: 2.6212e+04}
  - {P: 98.69 atm, A: 8.87e+22, b: -3.09, Ea: 2.6586e+04}
- equation: C3H5-A + C2H5 <=> C2H4 + C3H6  # Reaction 291
  rate-constant: {A: 4.0e+11, b: 0.0, Ea: 0.0}
- equation: C3H5-A + HCO <=> C3H6 + CO  # Reaction 292
  rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0}
- equation: C3H5-A + O2 <=> CH3CO + CH2O  # Reaction 293
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 1.0 atm, A: 1.19e+15, b: -1.01, Ea: 2.0128e+04}
  - {P: 10.0 atm, A: 7.14e+15, b: -1.21, Ea: 2.1046e+04}
- equation: C2H3 + CH2O <=> C2H4 + HCO  # Reaction 294
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 1.0e-03 atm, A: 1.11e+07, b: 1.09, Ea: 1807.2}
  - {P: 0.01 atm, A: 2.47e+07, b: 0.993, Ea: 1994.9}
  - {P: 0.1 atm, A: 2.47e+08, b: 0.704, Ea: 2596.2}
  - {P: 1.0 atm, A: 1.42e+10, b: 0.209, Ea: 3934.2}
  - {P: 10.0 atm, A: 3.45e+13, b: -0.726, Ea: 6944.3}
  - {P: 100.0 atm, A: 3.31e+14, b: -0.866, Ea: 1.09657e+04}
  - {P: 1000.0 atm, A: 16.5, b: 3.17, Ea: 9399.8}
- equation: C2H2 + CH3 <=> C3H5-A  # Reaction 295
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.1 atm, A: 8.2e+53, b: -13.32, Ea: 3.32e+04}
  - {P: 1.0 atm, A: 2.68e+53, b: -12.82, Ea: 3.573e+04}
  - {P: 2.0 atm, A: 3.64e+52, b: -12.46, Ea: 3.6127e+04}
  - {P: 5.0 atm, A: 1.04e+51, b: -11.89, Ea: 3.6476e+04}
  - {P: 10.0 atm, A: 4.4e+49, b: -11.4, Ea: 3.67e+04}
  - {P: 100.0 atm, A: 3.8e+44, b: -9.63, Ea: 3.76e+04}
- equation: C3H5-A + CH3 (+ M) <=> C4H8-1 (+ M)  # Reaction 296
  type: falloff
  low-P-rate-constant: {A: 3.91e+60, b: -12.81, Ea: 6250.0}
  high-P-rate-constant: {A: 1.0e+14, b: -0.32, Ea: -262.3}
  Troe: {A: 0.104, T3: 1606.0, T1: 6.0e+04, T2: 6118.4}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: C2H5 + C2H3 (+ M) <=> C4H8-1 (+ M)  # Reaction 297
  type: falloff
  low-P-rate-constant: {A: 1.55e+56, b: -11.79, Ea: 8984.5}
  high-P-rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0}
  Troe: {A: 0.198, T3: 2277.9, T1: 6.0e+04, T2: 5723.2}
  efficiencies: {CH4: 2.0, CO: 1.5, CO2: 2.0, H2: 2.0, H2O: 6.0}
- equation: C4H8-1 + H <=> C2H4 + C2H5  # Reaction 298
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 1.0e-03 atm, A: 2.55e+06, b: 1.93, Ea: 5564.0}
  - {P: 0.01 atm, A: 5.56e+06, b: 1.83, Ea: 5802.0}
  - {P: 0.1 atm, A: 1.21e+09, b: 1.18, Ea: 7472.0}
  - {P: 1.0 atm, A: 9.47e+16, b: -1.03, Ea: 1.3413e+04}
  - {P: 10.0 atm, A: 4.5e+28, b: -4.24, Ea: 2.3618e+04}
  - {P: 100.0 atm, A: 7.02e+32, b: -5.22, Ea: 3.1754e+04}
- equation: C4H8-1 + H <=> C2H4 + C2H5  # Reaction 299
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 1.0e-03 atm, A: 3.45e+07, b: 1.81, Ea: 2263.0}
  - {P: 0.01 atm, A: 8.06e+07, b: 1.71, Ea: 2522.0}
  - {P: 0.1 atm, A: 1.18e+10, b: 1.1, Ea: 4077.0}
  - {P: 1.0 atm, A: 6.02e+15, b: -0.49, Ea: 8452.0}
  - {P: 10.0 atm, A: 7.58e+21, b: -2.14, Ea: 1.4245e+04}
  - {P: 100.0 atm, A: 2.29e+21, b: -1.87, Ea: 1.7243e+04}
- equation: C4H8-1 + H <=> C3H6 + CH3  # Reaction 300
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 1.0e-03 atm, A: 7.83e+09, b: 1.17, Ea: 1442.0}
  - {P: 0.01 atm, A: 3.39e+10, b: 1.0, Ea: 1895.0}
  - {P: 0.1 atm, A: 3.7e+13, b: 0.14, Ea: 4127.0}
  - {P: 1.0 atm, A: 4.57e+19, b: -1.54, Ea: 9061.0}
  - {P: 10.0 atm, A: 8.57e+23, b: -2.66, Ea: 1.414e+04}
  - {P: 100.0 atm, A: 1.32e+20, b: -1.46, Ea: 1.5383e+04}
- equation: C4H8-1 + H <=> C3H6 + CH3  # Reaction 301
  type: pressure-dependent-Arrhenius
  duplicate: true
  rate-constants:
  - {P: 1.0e-03 atm, A: 1.8e+06, b: 1.76, Ea: 5900.0}
  - {P: 0.01 atm, A: 3.46e+06, b: 1.68, Ea: 6100.0}
  - {P: 0.1 atm, A: 4.02e+08, b: 1.1, Ea: 7574.0}
  - {P: 1.0 atm, A: 1.21e+16, b: -0.99, Ea: 1.3175e+04}
  - {P: 10.0 atm, A: 7.14e+27, b: -4.23, Ea: 2.3319e+04}
  - {P: 100.0 atm, A: 1.0e+33, b: -5.49, Ea: 3.1922e+04}
- equation: C4H8-1 + O => CH2CO + C2H5 + H  # Reaction 302
  rate-constant: {A: 3.05e+06, b: 1.88, Ea: 183.0}
- equation: C2H5 + O <=> CH3CHO + H  # Reaction 303
  rate-constant: {A: 1.1e+14, b: 0.0, Ea: 0.0}
- equation: C2H5 + O2 <=> CH3CHO + OH  # Reaction 304
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.04 atm, A: 4.908e-06, b: 4.76, Ea: 254.3}
  - {P: 1.0 atm, A: 0.06803, b: 3.57, Ea: 2643.0}
  - {P: 10.0 atm, A: 826.5, b: 2.41, Ea: 5285.0}
- equation: CH3CHO (+ M) <=> CH3 + HCO (+ M)  # Reaction 305
  type: falloff
  low-P-rate-constant: {A: 1.03e+59, b: -11.3, Ea: 9.59125e+04}
  high-P-rate-constant: {A: 2.45e+22, b: -1.74, Ea: 8.6355e+04}
  Troe: {A: 2.49e-03, T3: 718.1, T1: 6.089, T2: 3780.0}
- equation: CH3CHO (+ M) <=> CH4 + CO (+ M)  # Reaction 306
  type: falloff
  low-P-rate-constant: {A: 1.144e+58, b: -11.3, Ea: 9.59125e+04}
  high-P-rate-constant: {A: 2.72e+21, b: -1.74, Ea: 8.6355e+04}
  Troe: {A: 2.49e-03, T3: 718.1, T1: 6.089, T2: 3780.0}
- equation: CH3CHO + H <=> CH3CO + H2  # Reaction 307
  rate-constant: {A: 6.55e+04, b: 2.58, Ea: 1220.0}
- equation: CH3CHO + O <=> CH3CO + OH  # Reaction 308
  rate-constant: {A: 5.94e+12, b: 0.0, Ea: 1868.0}
- equation: CH3CHO + OH <=> CH3CO + H2O  # Reaction 309
  rate-constant: {A: 3.37e+12, b: 0.0, Ea: -619.0}
- equation: CH3CHO + O2 <=> CH3CO + HO2  # Reaction 310
  rate-constant: {A: 3.01e+13, b: 0.0, Ea: 3.915e+04}
- equation: CH3CHO + CH3 <=> CH3CO + CH4  # Reaction 311
  rate-constant: {A: 7.08e-04, b: 4.58, Ea: 1966.0}
- equation: CH3CHO + HO2 <=> CH3CO + H2O2  # Reaction 312
  rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04}
- equation: C2H4 + OH <=> CH3CHO + H  # Reaction 313
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.01 atm, A: 2.37e-07, b: 5.3, Ea: -2050.6}
  - {P: 0.025 atm, A: 8.73e-05, b: 4.57, Ea: -618.0}
  - {P: 0.1 atm, A: 0.403, b: 3.54, Ea: 1881.7}
  - {P: 1.0 atm, A: 0.0238, b: 3.91, Ea: 1722.7}
  - {P: 10.0 atm, A: 8.25e+08, b: 1.01, Ea: 1.05073e+04}
  - {P: 100.0 atm, A: 6.8e+09, b: 0.81, Ea: 1.38673e+04}
- equation: C2H5OH <=> C2H4 + H2O  # Reaction 314
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 1.0e-03 atm, A: 3.41e+59, b: -14.2, Ea: 8.36726e+04}
  - {P: 0.01 atm, A: 2.62e+57, b: -13.3, Ea: 8.52622e+04}
  - {P: 0.1 atm, A: 1.65e+52, b: -11.5, Ea: 8.47456e+04}
  - {P: 1.0 atm, A: 5.23e+43, b: -8.9, Ea: 8.15067e+04}
  - {P: 10.0 atm, A: 4.59e+32, b: -5.6, Ea: 7.60624e+04}
  - {P: 100.0 atm, A: 3.84e+20, b: -2.06, Ea: 6.94655e+04}
- equation: C2H5OH <=> C2H5 + OH  # Reaction 315
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 1.0e-03 atm, A: 8.1e+46, b: -11.3, Ea: 1.110534e+05}
  - {P: 0.01 atm, A: 1.86e+56, b: -13.5, Ea: 1.072384e+05}
  - {P: 0.1 atm, A: 4.65e+63, b: -15.0, Ea: 1.096228e+05}
  - {P: 1.0 atm, A: 4.46e+65, b: -14.9, Ea: 1.12345e+05}
  - {P: 10.0 atm, A: 2.79e+61, b: -13.4, Ea: 1.130802e+05}
  - {P: 100.0 atm, A: 6.17e+51, b: -10.3, Ea: 1.099407e+05}
- equation: C2H5OH + O2 <=> SC2H4OH + HO2  # Reaction 316
  rate-constant: {A: 1.5e+13, b: 0.0, Ea: 5.015e+04}
- equation: C2H5OH + H <=> SC2H4OH + H2  # Reaction 317
  rate-constant: {A: 8790.0, b: 2.68, Ea: 2910.0}
- equation: C2H5OH + OH <=> SC2H4OH + H2O  # Reaction 318
  rate-constant: {A: 7.52e+04, b: 2.49, Ea: -1474.0}
- equation: C2H5OH + HO2 <=> SC2H4OH + H2O2  # Reaction 319
  rate-constant: {A: 7.0e-05, b: 5.26, Ea: 7475.1}
- equation: C2H5OH + O <=> SC2H4OH + OH  # Reaction 320
  rate-constant: {A: 1.45e+05, b: 2.47, Ea: 876.0}
- equation: C2H5OH + CH3 <=> SC2H4OH + CH4  # Reaction 321
  rate-constant: {A: 19.93, b: 3.37, Ea: 7634.0}
- equation: SC2H4OH <=> CH3CHO + H  # Reaction 322
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 1.0e-03 atm, A: 5.69e+52, b: -13.38, Ea: 4.5049e+04}
  - {P: 0.01 atm, A: 3.29e+56, b: -14.12, Ea: 4.8129e+04}
  - {P: 0.1 atm, A: 8.58e+57, b: -14.16, Ea: 5.0743e+04}
  - {P: 1.0 atm, A: 5.36e+55, b: -13.15, Ea: 5.1886e+04}
  - {P: 10.0 atm, A: 1.66e+48, b: -10.64, Ea: 5.0297e+04}
  - {P: 20.0 atm, A: 8.26e+44, b: -9.59, Ea: 4.9218e+04}
  - {P: 50.0 atm, A: 1.01e+40, b: -8.06, Ea: 4.7439e+04}
  - {P: 100.0 atm, A: 1.1e+36, b: -6.84, Ea: 4.5899e+04}
- equation: SC2H4OH + O2 <=> CH3CHO + HO2  # Reaction 323
  type: pressure-dependent-Arrhenius
  rate-constants:
  - {P: 0.01 atm, A: 5.26e+17, b: -1.637, Ea: 838.0}
  - {P: 0.1 atm, A: 5.26e+17, b: -1.637, Ea: 838.0}
  - {P: 1.0 atm, A: 5.28e+17, b: -1.638, Ea: 839.0}
  - {P: 10.0 atm, A: 1.54e+18, b: -1.771, Ea: 1120.0}
  - {P: 100.0 atm, A: 3.78e+20, b: -2.429, Ea: 3090.0}