generator: ctml2yaml
cantera-version: 3.0.0
date: Fri, 02 Aug 2024 10:36:20 +0200
input-files: [NC12H26_27_452_20_TJ.xml]

phases:
- name: gas
  elements: [O, H, C, N, Ar, He]
  species: [N2, H, H2, O, OH, O2, H2O, HO2, CO, CH2O, CH3, CO2, CH4, C2H6, C2H4, CH2CO,
    C2H2, C3H6, C4H81, C4H6, C5H10, C6H12, NC12H26, NO, NO2, HCN, N2O]
  thermo: ideal-gas
  kinetics: custom
  transport: mixture-averaged
  state: {T: 300.0 K, P: 1.01325e+05 Pa}

species:
- name: NO
  composition: {O: 1.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.376542, 1.253063e-03, -3.302751e-06, 5.21781e-09, -2.446263e-12, 9817.961,
      5.82959]
    - [3.245435, 1.269138e-03, -5.01589e-07, 9.169283e-11, -6.275419e-15, 9800.84,
      6.417294]
  transport:
    model: gas
    geometry: linear
    well-depth: 97.53
    diameter: 3.62
    dipole: 0.0
    polarizability: 1.76
    rotational-relaxation: 4.0
- name: HCN
  composition: {H: 1.0, C: 1.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 4000.0]
    data:
    - [2.417787, 9.031856e-03, -1.107727e-05, 7.980141e-09, -2.311141e-12, 1.501044e+04,
      8.222891]
    - [3.426457, 3.92419e-03, -1.601138e-06, 3.161966e-10, -2.43285e-14, 1.485552e+04,
      3.607795]
  transport:
    model: gas
    geometry: linear
    well-depth: 569.0
    diameter: 3.63
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: NH3
  composition: {H: 3.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [2.204352, 0.01011476, -1.465265e-05, 1.447235e-08, -5.328509e-12, -6525.488,
      8.127138]
    - [2.461904, 6.059166e-03, -2.004977e-06, 3.136003e-10, -1.938317e-14, -6493.27,
      7.472097]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 481.0
    diameter: 2.92
    dipole: 1.47
    polarizability: 0.0
    rotational-relaxation: 10.0
- name: N2O
  composition: {O: 1.0, N: 2.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [2.543058, 9.492193e-03, -9.792775e-06, 6.263845e-09, -1.901826e-12, 8765.1,
      9.511222]
    - [4.718977, 2.873714e-03, -1.197496e-06, 2.250552e-10, -1.575337e-14, 8165.811,
      -1.65725]
  transport:
    model: gas
    geometry: linear
    well-depth: 232.4
    diameter: 3.83
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: NO2
  composition: {O: 2.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [2.6706, 7.838501e-03, -8.063865e-06, 6.161715e-09, -2.32015e-12, 2896.291,
      11.61207]
    - [4.682859, 2.462429e-03, -1.042259e-06, 1.976902e-10, -1.391717e-14, 2261.292,
      0.9885985]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 200.0
    diameter: 3.5
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: HNO
  composition: {H: 1.0, O: 1.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [2.784403, 6.609646e-03, -9.300223e-06, 9.43798e-09, -3.753146e-12, 1.091878e+04,
      9.035629]
    - [3.615144, 3.212486e-03, -1.260337e-06, 2.267298e-10, -1.536236e-14, 1.066191e+04,
      4.810264]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 116.7
    diameter: 3.49
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: HONO
  composition: {H: 1.0, O: 2.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [2.290413, 0.01409922, -1.367872e-05, 7.49878e-09, -1.876905e-12, -1.043195e+04,
      13.28077]
    - [5.486893, 4.218065e-03, -1.649143e-06, 2.971877e-10, -2.021148e-14, -1.126865e+04,
      -2.997002]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 146.0
    diameter: 4.68
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: H2CN
  composition: {H: 2.0, C: 1.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 4000.0]
    data:
    - [2.851661, 5.695233e-03, 1.07114e-06, -1.622612e-09, -2.351108e-13, 2.863782e+04,
      8.992751]
    - [5.209703, 2.969291e-03, -2.855589e-07, -1.63555e-10, 3.043259e-14, 2.767711e+04,
      -4.444478]
  transport:
    model: gas
    geometry: linear
    well-depth: 569.0
    diameter: 3.63
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: NNH
  composition: {H: 1.0, N: 2.0}
  thermo:
    model: NASA7
    temperature-ranges: [250.0, 1000.0, 4000.0]
    data:
    - [3.501344, 2.053587e-03, 7.17041e-07, 4.921348e-10, -9.67117e-13, 2.833347e+04,
      6.391837]
    - [4.415342, 1.614388e-03, -1.632894e-07, -8.559846e-11, 1.614791e-14, 2.788029e+04,
      0.9042888]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 71.4
    diameter: 3.8
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: NH2
  composition: {H: 2.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.432493, 3.29954e-03, -6.6136e-06, 8.590947e-09, -3.572047e-12, 2.177228e+04,
      3.090111]
    - [2.961311, 2.932699e-03, -9.0636e-07, 1.617257e-10, -1.2042e-14, 2.191977e+04,
      5.777878]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 80.0
    diameter: 2.65
    dipole: 0.0
    polarizability: 2.26
    rotational-relaxation: 4.0
- name: NH
  composition: {H: 1.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.339758, 1.253009e-03, -3.491646e-06, 4.218812e-09, -1.557618e-12, 4.185047e+04,
      2.507181]
    - [2.760249, 1.375346e-03, -4.451914e-07, 7.692792e-11, -5.017592e-15, 4.207828e+04,
      5.857199]
  transport:
    model: gas
    geometry: linear
    well-depth: 80.0
    diameter: 2.65
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 4.0
- name: N
  composition: {N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [2.503071, -2.180018e-05, 5.420529e-08, -5.64756e-11, 2.099904e-14, 5.60989e+04,
      4.167566]
    - [2.450268, 1.066146e-04, -7.465337e-08, 1.879652e-11, -1.025984e-15, 5.611604e+04,
      4.448758]
  transport:
    model: gas
    geometry: atom
    well-depth: 71.4
    diameter: 3.3
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 0.0
- name: CN
  composition: {C: 1.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.663204, -1.156529e-03, 2.163409e-06, 1.854208e-10, -8.214695e-13, 5.128118e+04,
      3.739016]
    - [3.72012, 1.518351e-04, 1.987381e-07, -3.798371e-11, 1.32823e-15, 5.111626e+04,
      2.888597]
  transport:
    model: gas
    geometry: linear
    well-depth: 75.0
    diameter: 3.86
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: NCO
  composition: {C: 1.0, O: 1.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1400.0, 4000.0]
    data:
    - [3.359593, 5.393239e-03, -8.144585e-07, -1.912868e-09, 7.836794e-13, 1.462809e+04,
      6.549694]
    - [6.072346, 9.227829e-04, -9.845574e-08, -4.764123e-11, 9.090445e-15, 1.35982e+04,
      -8.507293]
  transport:
    model: gas
    geometry: linear
    well-depth: 232.4
    diameter: 3.83
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: HOCN
  composition: {H: 1.0, C: 1.0, O: 1.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1400.0, 4000.0]
    data:
    - [3.789424, 5.387981e-03, -6.51827e-07, -1.420164e-09, 5.367969e-13, -3135.335,
      6.667052]
    - [6.022112, 1.92953e-03, -1.455029e-07, -1.045811e-10, 1.794814e-14, -4040.321,
      -5.866433]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 232.4
    diameter: 3.83
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: HNCO
  composition: {H: 1.0, C: 1.0, O: 1.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1400.0, 4000.0]
    data:
    - [3.858467, 6.390342e-03, -9.016628e-07, -1.898224e-09, 7.65138e-13, -1.562343e+04,
      4.882493]
    - [6.545307, 1.96576e-03, -1.562664e-07, -1.074318e-10, 1.87468e-14, -1.664773e+04,
      -10.0388]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 232.4
    diameter: 3.83
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: CH3CN
  composition: {H: 3.0, C: 2.0, N: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
    - [2.5197531, 0.013567523, -2.5764077e-06, -3.0893967e-09, 1.4288692e-12, 8553.3762,
      10.920868]
    - [2.3924046, 0.015618873, -7.9120497e-06, 1.9372333e-09, -1.8611956e-13, 8499.9377,
      11.145236]
  transport:
    model: gas
    geometry: linear
    well-depth: 360.0
    diameter: 3.7
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: AR
  composition: {Ar: 1.0}
  note: '120186'
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.366]
    - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.366]
  transport:
    model: gas
    geometry: atom
    well-depth: 136.5
    diameter: 3.33
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 0.0
- name: N2
  composition: {N: 2.0}
  note: '121286'
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.298677, 1.4082404e-03, -3.963222e-06, 5.641515e-09, -2.444854e-12, -1020.8999,
      3.950372]
    - [2.92664, 1.4879768e-03, -5.68476e-07, 1.0097038e-10, -6.753351e-15, -922.7977,
      5.980528]
  transport:
    model: gas
    geometry: linear
    well-depth: 97.53
    diameter: 3.621
    dipole: 0.0
    polarizability: 1.76
    rotational-relaxation: 4.0
- name: HE
  composition: {He: 1.0}
  note: L10/90
  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
    well-depth: 10.2
    diameter: 2.576
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 0.0
- name: H
  composition: {H: 1.0}
  note: L7/88
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [2.5, 7.05332819e-13, -1.99591964e-15, 2.30081632e-18, -9.27732332e-22, 2.54736599e+04,
      -0.446682853]
    - [2.50000001, -2.30842973e-11, 1.61561948e-14, -4.73515235e-18, 4.98197357e-22,
      2.54736599e+04, -0.446682914]
  transport:
    model: gas
    geometry: atom
    well-depth: 145.0
    diameter: 2.05
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 0.0
- name: O
  composition: {O: 1.0}
  note: L1/90
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [3.1682671, -3.27931884e-03, 6.64306396e-06, -6.12806624e-09, 2.11265971e-12,
      2.91222592e+04, 2.05193346]
    - [2.56942078, -8.59741137e-05, 4.19484589e-08, -1.00177799e-11, 1.22833691e-15,
      2.92175791e+04, 4.78433864]
  transport:
    model: gas
    geometry: atom
    well-depth: 80.0
    diameter: 2.75
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 0.0
- name: OH
  composition: {H: 1.0, O: 1.0}
  note: S9/01
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.12530561, -3.22544939e-03, 6.52764691e-06, -5.79853643e-09, 2.06237379e-12,
      3381.53812, -0.69043296]
    - [2.86472886, 1.05650448e-03, -2.59082758e-07, 3.05218674e-11, -1.33195876e-15,
      3718.85774, 5.70164073]
  transport:
    model: gas
    geometry: linear
    well-depth: 80.0
    diameter: 2.75
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 0.0
- name: HO2
  composition: {H: 1.0, O: 2.0}
  note: L5/89
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [4.30179801, -4.74912051e-03, 2.11582891e-05, -2.42763894e-08, 9.29225124e-12,
      294.80804, 3.71666245]
    - [4.0172109, 2.23982013e-03, -6.3365815e-07, 1.1424637e-10, -1.07908535e-14,
      111.856713, 3.78510215]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 107.4
    diameter: 3.458
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: H2
  composition: {H: 2.0}
  note: TPIS78
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [2.34433112, 7.98052075e-03, -1.9478151e-05, 2.01572094e-08, -7.37611761e-12,
      -917.935173, 0.683010238]
    - [3.3372792, -4.94024731e-05, 4.99456778e-07, -1.79566394e-10, 2.00255376e-14,
      -950.158922, -3.20502331]
  transport:
    model: gas
    geometry: linear
    well-depth: 38.0
    diameter: 2.92
    dipole: 0.0
    polarizability: 0.79
    rotational-relaxation: 280.0
- name: H2O
  composition: {H: 2.0, O: 1.0}
  note: L8/89
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [4.19864056, -2.0364341e-03, 6.52040211e-06, -5.48797062e-09, 1.77197817e-12,
      -3.02937267e+04, -0.849032208]
    - [3.03399249, 2.17691804e-03, -1.64072518e-07, -9.7041987e-11, 1.68200992e-14,
      -3.00042971e+04, 4.9667701]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 572.4
    diameter: 2.605
    dipole: 1.844
    polarizability: 0.0
    rotational-relaxation: 4.0
- name: H2O2
  composition: {H: 2.0, O: 2.0}
  note: L7/88
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [4.27611269, -5.42822417e-04, 1.67335701e-05, -2.15770813e-08, 8.62454363e-12,
      -1.77025821e+04, 3.43505074]
    - [4.16500285, 4.90831694e-03, -1.90139225e-06, 3.71185986e-10, -2.87908305e-14,
      -1.78617877e+04, 2.91615662]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 107.4
    diameter: 3.458
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 3.8
- name: O2
  composition: {O: 2.0}
  note: TPIS89
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12,
      -1063.94356, 3.65767573]
    - [3.28253784, 1.48308754e-03, -7.57966669e-07, 2.09470555e-10, -2.16717794e-14,
      -1088.45772, 5.45323129]
  transport:
    model: gas
    geometry: linear
    well-depth: 107.4
    diameter: 3.458
    dipole: 0.0
    polarizability: 1.6
    rotational-relaxation: 3.8
- name: C
  composition: {C: 1.0}
  note: L11/88
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [2.55423955, -3.21537724e-04, 7.33792245e-07, -7.32234889e-10, 2.66521446e-13,
      8.54438832e+04, 4.53130848]
    - [2.49266888, 4.79889284e-05, -7.2433502e-08, 3.74291029e-11, -4.87277893e-15,
      8.54512953e+04, 4.80150373]
  transport:
    model: gas
    geometry: atom
    well-depth: 71.4
    diameter: 3.298
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 0.0
- name: CH
  composition: {H: 1.0, C: 1.0}
  note: TPIS79
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [3.48981665, 3.23835541e-04, -1.68899065e-06, 3.16217327e-09, -1.40609067e-12,
      7.07972934e+04, 2.08401108]
    - [2.87846473, 9.70913681e-04, 1.44445655e-07, -1.30687849e-10, 1.76079383e-14,
      7.10124364e+04, 5.48497999]
  transport:
    model: gas
    geometry: linear
    well-depth: 80.0
    diameter: 2.75
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 0.0
- name: CH2
  composition: {H: 2.0, C: 1.0}
  note: LS/93
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [3.76267867, 9.68872143e-04, 2.79489841e-06, -3.85091153e-09, 1.68741719e-12,
      4.60040401e+04, 1.56253185]
    - [2.87410113, 3.65639292e-03, -1.40894597e-06, 2.60179549e-10, -1.87727567e-14,
      4.6263604e+04, 6.17119324]
  transport:
    model: gas
    geometry: linear
    well-depth: 144.0
    diameter: 3.8
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 0.0
- name: CH2*
  composition: {H: 2.0, C: 1.0}
  note: LS/93
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [4.19860411, -2.36661419e-03, 8.2329622e-06, -6.68815981e-09, 1.94314737e-12,
      5.04968163e+04, -0.769118967]
    - [2.29203842, 4.65588637e-03, -2.01191947e-06, 4.17906e-10, -3.39716365e-14,
      5.09259997e+04, 8.62650169]
  transport:
    model: gas
    geometry: linear
    well-depth: 144.0
    diameter: 3.8
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 0.0
- name: CH3
  composition: {H: 3.0, C: 1.0}
  note: L11/89
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [3.6735904, 2.01095175e-03, 5.73021856e-06, -6.87117425e-09, 2.54385734e-12,
      1.64449988e+04, 1.60456433]
    - [2.28571772, 7.23990037e-03, -2.98714348e-06, 5.95684644e-10, -4.67154394e-14,
      1.67755843e+04, 8.48007179]
  transport:
    model: gas
    geometry: linear
    well-depth: 144.0
    diameter: 3.8
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 0.0
- name: CH4
  composition: {H: 4.0, C: 1.0}
  note: L8/88
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11,
      -1.02466476e+04, -4.64130376]
    - [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13,
      -9468.34459, 18.437318]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 141.4
    diameter: 3.746
    dipole: 0.0
    polarizability: 2.6
    rotational-relaxation: 13.0
- name: HCO
  composition: {H: 1.0, C: 1.0, O: 1.0}
  note: L12/89
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [4.22118584, -3.24392532e-03, 1.37799446e-05, -1.33144093e-08, 4.33768865e-12,
      3839.56496, 3.39437243]
    - [2.77217438, 4.95695526e-03, -2.48445613e-06, 5.89161778e-10, -5.33508711e-14,
      4011.91815, 9.79834492]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 498.0
    diameter: 3.59
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 0.0
- name: CH2O
  composition: {H: 2.0, C: 1.0, O: 1.0}
  note: L8/88
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [4.79372315, -9.90833369e-03, 3.73220008e-05, -3.79285261e-08, 1.31772652e-11,
      -1.43089567e+04, 0.6028129]
    - [1.76069008, 9.20000082e-03, -4.42258813e-06, 1.00641212e-09, -8.8385564e-14,
      -1.39958323e+04, 13.656323]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 498.0
    diameter: 3.59
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 2.0
- name: CH3O
  composition: {H: 3.0, C: 1.0, O: 1.0}
  note: IU1/03
  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
    well-depth: 417.0
    diameter: 3.69
    dipole: 1.7
    polarizability: 0.0
    rotational-relaxation: 2.0
- name: CH2OH
  composition: {H: 3.0, C: 1.0, O: 1.0}
  note: IU2/03
  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
    well-depth: 417.0
    diameter: 3.69
    dipole: 1.7
    polarizability: 0.0
    rotational-relaxation: 2.0
- name: CH3OH
  composition: {H: 4.0, C: 1.0, O: 1.0}
  note: L8/88
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [5.71539582, -0.0152309129, 6.52441155e-05, -7.10806889e-08, 2.61352698e-11,
      -2.56427656e+04, -1.50409823]
    - [1.78970791, 0.0140938292, -6.36500835e-06, 1.38171085e-09, -1.1706022e-13,
      -2.53748747e+04, 14.5023623]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 481.8
    diameter: 3.626
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: CO
  composition: {C: 1.0, O: 1.0}
  note: TPIS79
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [3.57953347, -6.1035368e-04, 1.01681433e-06, 9.07005884e-10, -9.04424499e-13,
      -1.4344086e+04, 3.50840928]
    - [2.71518561, 2.06252743e-03, -9.98825771e-07, 2.30053008e-10, -2.03647716e-14,
      -1.41518724e+04, 7.81868772]
  transport:
    model: gas
    geometry: linear
    well-depth: 98.1
    diameter: 3.65
    dipole: 0.0
    polarizability: 1.95
    rotational-relaxation: 1.8
- name: CO2
  composition: {C: 1.0, O: 2.0}
  note: L7/88
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [2.35677352, 8.98459677e-03, -7.12356269e-06, 2.45919022e-09, -1.43699548e-13,
      -4.83719697e+04, 9.90105222]
    - [3.85746029, 4.41437026e-03, -2.21481404e-06, 5.23490188e-10, -4.72084164e-14,
      -4.8759166e+04, 2.27163806]
  transport:
    model: gas
    geometry: linear
    well-depth: 244.0
    diameter: 3.763
    dipole: 0.0
    polarizability: 2.65
    rotational-relaxation: 2.1
- name: C2O
  composition: {C: 2.0, O: 1.0}
  note: RUS79
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [2.864861, 0.011990216, -1.8362448e-05, 1.5769739e-08, -5.3897452e-12, 3.3749932e+04,
      8.8867772]
    - [5.1512722, 2.3726722e-03, -7.6135971e-07, 1.1706415e-10, -7.0257804e-15, 3.3241888e+04,
      -2.2183135]
  transport:
    model: gas
    geometry: linear
    well-depth: 232.4
    diameter: 3.828
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C2H
  composition: {H: 1.0, C: 2.0}
  note: L1/91
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [2.88965733, 0.0134099611, -2.84769501e-05, 2.94791045e-08, -1.09331511e-11,
      6.68393932e+04, 6.22296438]
    - [3.16780652, 4.75221902e-03, -1.83787077e-06, 3.04190252e-10, -1.7723277e-14,
      6.7121065e+04, 6.63589475]
  transport:
    model: gas
    geometry: linear
    well-depth: 209.0
    diameter: 4.1
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 2.5
- name: C2H2
  composition: {H: 2.0, C: 2.0}
  note: L1/91
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [0.808681094, 0.0233615629, -3.55171815e-05, 2.80152437e-08, -8.50072974e-12,
      2.64289807e+04, 13.9397051]
    - [4.14756964, 5.96166664e-03, -2.37294852e-06, 4.67412171e-10, -3.61235213e-14,
      2.59359992e+04, -1.23028121]
  transport:
    model: gas
    geometry: linear
    well-depth: 209.0
    diameter: 4.1
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 2.5
- name: H2CC
  composition: {H: 2.0, C: 2.0}
  note: L12/89
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [3.2815483, 6.9764791e-03, -2.3855244e-06, -1.2104432e-09, 9.8189545e-13, 4.8621794e+04,
      5.920391]
    - [4.278034, 4.7562804e-03, -1.6301009e-06, 2.5462806e-10, -1.4886379e-14, 4.8316688e+04,
      0.64023701]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 209.0
    diameter: 4.1
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 2.5
- name: C2H3
  composition: {H: 3.0, C: 2.0}
  note: L2/92
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [3.21246645, 1.51479162e-03, 2.59209412e-05, -3.57657847e-08, 1.47150873e-11,
      3.48598468e+04, 8.51054025]
    - [3.016724, 0.0103302292, -4.68082349e-06, 1.01763288e-09, -8.62607041e-14, 3.46128739e+04,
      7.78732378]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 209.0
    diameter: 4.1
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C2H4
  composition: {H: 4.0, C: 2.0}
  note: L1/91
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [3.95920148, -7.57052247e-03, 5.70990292e-05, -6.91588753e-08, 2.69884373e-11,
      5089.77593, 4.09733096]
    - [2.03611116, 0.0146454151, -6.71077915e-06, 1.47222923e-09, -1.25706061e-13,
      4939.88614, 10.3053693]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 280.8
    diameter: 3.971
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.5
- name: C2H5
  composition: {H: 5.0, C: 2.0}
  note: L12/92
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [4.30646568, -4.18658892e-03, 4.97142807e-05, -5.99126606e-08, 2.30509004e-11,
      1.28416265e+04, 4.70720924]
    - [1.95465642, 0.0173972722, -7.98206668e-06, 1.75217689e-09, -1.49641576e-13,
      1.285752e+04, 13.4624343]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 252.3
    diameter: 4.302
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.5
- name: C2H6
  composition: {H: 6.0, C: 2.0}
  note: L8/88
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [4.29142492, -5.5015427e-03, 5.99438288e-05, -7.08466285e-08, 2.68685771e-11,
      -1.15222055e+04, 2.66682316]
    - [1.0718815, 0.0216852677, -1.00256067e-05, 2.21412001e-09, -1.9000289e-13, -1.14263932e+04,
      15.1156107]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 252.3
    diameter: 4.302
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.5
- name: HCCO
  composition: {H: 1.0, C: 2.0, O: 1.0}
  note: SRIC91
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 4000.0]
    data:
    - [2.2517214, 0.017655021, -2.3729101e-05, 1.7275759e-08, -5.0664811e-12, 2.0059449e+04,
      12.490417]
    - [5.6282058, 4.0853401e-03, -1.5934547e-06, 2.8626052e-10, -1.9407832e-14, 1.9327215e+04,
      -3.9302595]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 150.0
    diameter: 2.5
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: HCCOH
  composition: {H: 2.0, C: 2.0, O: 1.0}
  note: SRI91
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [1.2423733, 0.031072201, -5.0866864e-05, 4.3137131e-08, -1.4014594e-11, 8031.6143,
      13.874319]
    - [5.9238291, 6.79236e-03, -2.5658564e-06, 4.4987841e-10, -2.9940101e-14, 7264.626,
      -7.6017742]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 436.0
    diameter: 3.97
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 2.0
- name: CH2CO
  composition: {H: 2.0, C: 2.0, O: 1.0}
  note: D05/90
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [2.1358363, 0.0181188721, -1.73947474e-05, 9.34397568e-09, -2.01457615e-12,
      -7270.0, 12.215648]
    - [4.51129732, 9.00359745e-03, -4.16939635e-06, 9.23345882e-10, -7.94838201e-14,
      -7778.5, 0.632247205]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 436.0
    diameter: 3.97
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 2.0
- name: CH3CO
  composition: {H: 3.0, C: 2.0, O: 1.0}
  note: T9/92
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.1634257, -2.326161e-04, 3.426782e-05, -4.4105227e-08, 1.7275612e-11, -2657.4529,
      7.346828]
    - [5.9447731, 7.8667205e-03, -2.8865882e-06, 4.7270875e-10, -2.8599861e-14, -3787.3075,
      -5.0136751]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 436.0
    diameter: 3.97
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 2.0
- name: CH2CHO
  composition: {H: 3.0, C: 2.0, O: 1.0}
  note: D05/83
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.4090624, 0.010738574, 1.8914925e-06, -7.1585831e-09, 2.8673851e-12, 62.0,
      9.5714535]
    - [5.9756699, 8.1305914e-03, -2.7436245e-06, 4.0703041e-10, -2.1760171e-14, -969.5,
      -5.0320879]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 436.0
    diameter: 3.97
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 2.0
- name: CH2OCH
  composition: {H: 3.0, C: 2.0, O: 1.0}
  note: A12/04
  thermo:
    model: NASA7
    temperature-ranges: [298.15, 500.0, 3000.0]
    data:
    - [-0.38396084, 0.023879038, -1.2467587e-05, -1.7686411e-09, 2.8142438e-12, 1.8836203e+04,
      25.741745]
    - [4.4994054, 0.011552625, -4.8144129e-06, 8.9234919e-10, -5.6870585e-14, 1.7473963e+04,
      0.33925515]
  transport:
    model: gas
    geometry: linear
    well-depth: 252.0
    diameter: 4.76
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: CH3CHO
  composition: {H: 4.0, C: 2.0, O: 1.0}
  note: L8/88
  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
    well-depth: 436.0
    diameter: 3.97
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 2.0
- name: CH2OCH2
  composition: {H: 4.0, C: 2.0, O: 1.0}
  note: T6/92
  thermo:
    model: NASA7
    temperature-ranges: [298.15, 1000.0, 3000.0]
    data:
    - [3.7590532, -9.441218e-03, 8.0309721e-05, -1.0080788e-07, 4.0039921e-11, -7560.8143,
      7.8497475]
    - [5.4887641, 0.01204619, -4.3336931e-06, 7.0028311e-10, -4.1949088e-14, -9180.4251,
      -7.0799605]
  transport:
    model: gas
    geometry: linear
    well-depth: 252.0
    diameter: 4.76
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C3H3
  composition: {H: 3.0, C: 3.0}
  note: T5/97
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [1.35110927, 0.0327411223, -4.73827135e-05, 3.76309808e-08, -1.18540923e-11,
      4.01057783e+04, 15.2058924]
    - [7.1422188, 7.61902005e-03, -2.6745995e-06, 4.24914801e-10, -2.51475415e-14,
      3.89087427e+04, -12.5848436]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 252.0
    diameter: 4.76
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: pC3H4
  composition: {H: 4.0, C: 3.0}
  note: T2/90
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [2.6803869, 0.015799651, 2.5070596e-06, -1.3657623e-08, 6.6154285e-12, 2.0802374e+04,
      9.8769351]
    - [6.02524, 0.011336542, -4.0223391e-06, 6.4376063e-10, -3.8299635e-14, 1.9620942e+04,
      -8.6043785]
  transport:
    model: gas
    geometry: linear
    well-depth: 252.0
    diameter: 4.76
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: aC3H4
  composition: {H: 4.0, C: 3.0}
  note: L8/89
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [2.6130445, 0.012122575, 1.853988e-05, -3.4525149e-08, 1.5335079e-11, 2.1541567e+04,
      10.226139]
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      -10.995766]
  transport:
    model: gas
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    diameter: 4.76
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: cC3H4
  composition: {H: 4.0, C: 3.0}
  note: T12/81
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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    - [6.6999931, 0.010357372, -3.4551167e-06, 5.0652949e-10, -2.6682276e-14, 3.0199051e+04,
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  transport:
    model: gas
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- name: aC3H5
  composition: {H: 5.0, C: 3.0}
  note: PD5/98
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      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
    well-depth: 266.8
    diameter: 4.982
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    rotational-relaxation: 1.0
- name: CH3CCH2
  composition: {H: 5.0, C: 3.0}
  note: PD5/98
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      16.568878]
    - [5.4255528, 0.015511072, -5.667835e-06, 7.9224388e-10, -1.6878034e-14, 2.7843027e+04,
      -3.3527184]
  transport:
    model: gas
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    well-depth: 266.8
    diameter: 4.982
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    rotational-relaxation: 1.0
- name: CH3CHCH
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  note: PD5/98
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      19.989269]
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      -3.4186478]
  transport:
    model: gas
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- name: C3H6
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  note: '120186'
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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    - [6.732257, 0.01490834, -4.949899e-06, 7.212022e-10, -3.766204e-14, -923.5703,
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  transport:
    model: gas
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- name: nC3H7
  composition: {H: 7.0, C: 3.0}
  note: P11/94
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      21.136034]
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  transport:
    model: gas
    geometry: nonlinear
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- name: iC3H7
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  note: P11/94
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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    - [6.5192741, 0.017220104, -5.7364217e-06, 8.4130732e-10, -4.4565913e-14, 7322.7193,
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  transport:
    model: gas
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    diameter: 4.982
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- name: C3H8
  composition: {H: 8.0, C: 3.0}
  note: P11/94
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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  transport:
    model: gas
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    well-depth: 266.8
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- name: CH2CHCO
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  note: T05/99
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
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      7128.1575, 10.0881663]
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  transport:
    model: gas
    geometry: linear
    well-depth: 357.0
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    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C2H3CHO
  composition: {H: 4.0, C: 3.0, O: 1.0}
  note: USC/07
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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      19.498077]
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  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
    diameter: 5.176
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- name: CH3CHOCH2
  composition: {H: 6.0, C: 3.0, O: 1.0}
  note: T6/92
  thermo:
    model: NASA7
    temperature-ranges: [298.15, 1000.0, 3000.0]
    data:
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      22.60527]
    - [8.6900558, 0.016020987, -5.3971753e-06, 7.9941542e-10, -4.2656366e-14, -1.5420691e+04,
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  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
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    polarizability: 0.0
    rotational-relaxation: 1.0
- name: CH3CH2CHO
  composition: {H: 6.0, C: 3.0, O: 1.0}
  note: USC/07
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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  transport:
    model: gas
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    well-depth: 252.0
    diameter: 4.76
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- name: CH3COCH3
  composition: {H: 6.0, C: 3.0, O: 1.0}
  note: T5/92
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
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  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
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- name: C4H2
  composition: {H: 2.0, C: 4.0}
  note: D11/99
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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  transport:
    model: gas
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- name: nC4H3
  composition: {H: 3.0, C: 4.0}
  note: USC/07
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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  transport:
    model: gas
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- name: iC4H3
  composition: {H: 3.0, C: 4.0}
  note: USC/07
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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      7.5637245]
    - [7.6538548, 0.011204055, -4.6401342e-06, 8.6786639e-10, -5.7430562e-14, 5.7954363e+04,
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  transport:
    model: gas
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- name: C4H4
  composition: {H: 4.0, C: 4.0}
  note: USC/07
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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      20.657881]
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  transport:
    model: gas
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- name: nC4H5
  composition: {H: 5.0, C: 4.0}
  note: USC/07
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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  transport:
    model: gas
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- name: iC4H5
  composition: {H: 5.0, C: 4.0}
  note: USC/07
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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  transport:
    model: gas
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- name: C4H5-2
  composition: {H: 5.0, C: 4.0}
  note: H6W/94
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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  transport:
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- name: c-C4H5
  composition: {H: 5.0, C: 4.0}
  note: PUPM3
  thermo:
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    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      35.701797]
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  transport:
    model: gas
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    well-depth: 329.0
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- name: C4H6
  composition: {H: 6.0, C: 4.0}
  note: H6W/94
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
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- name: C4H612
  composition: {H: 6.0, C: 4.0}
  note: A8/83
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      19.75066]
    - [17.81557, -4.257502e-03, 1.051185e-05, -4.473844e-09, 5.848138e-13, 1.267342e+04,
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  transport:
    model: gas
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- name: C4H6-2
  composition: {H: 6.0, C: 4.0}
  note: A8/83
  thermo:
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    data:
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      13.529426]
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  transport:
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- name: C4H7
  composition: {H: 7.0, C: 4.0}
  note: USC/07
  thermo:
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    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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      23.437878]
    - [7.0134835, 0.022634558, -9.254547e-06, 1.6807927e-09, -1.0408617e-13, 2.0955008e+04,
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  transport:
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- name: iC4H7
  composition: {H: 7.0, C: 4.0}
  note: USC/07
  thermo:
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    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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      29.863663]
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  transport:
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- name: C4H81
  composition: {H: 8.0, C: 4.0}
  note: T6/83
  thermo:
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    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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    - [2.0535841, 0.034350507, -1.5883197e-05, 3.3089662e-09, -2.5361045e-13, -2139.7231,
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  transport:
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- name: C4H82
  composition: {H: 8.0, C: 4.0}
  note: T6/83
  thermo:
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    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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      20.501129]
    - [0.82797676, 0.035864539, -1.6634498e-05, 3.4732759e-09, -2.6657398e-13, -3052.1033,
      21.342545]
  transport:
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- name: iC4H8
  composition: {H: 8.0, C: 4.0}
  note: T6/83
  thermo:
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    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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      12.676388]
    - [4.460947, 0.029611487, -1.3077129e-05, 2.6571934e-09, -2.0134713e-13, -5006.6758,
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  transport:
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- name: pC4H9
  composition: {H: 9.0, C: 4.0}
  note: USC/07
  thermo:
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    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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    - [8.6822395, 0.023691071, -7.5948865e-06, 6.6427136e-10, 5.4845136e-14, 4964.4058,
      -17.891747]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
    diameter: 5.176
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: sC4H9
  composition: {H: 9.0, C: 4.0}
  note: P11/94
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      26.279789]
    - [9.4263839, 0.021918998, -7.2868375e-06, 1.0630334e-09, -5.5649464e-14, 3196.5874,
      -22.406051]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
    diameter: 5.176
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- name: iC4H9
  composition: {H: 9.0, C: 4.0}
  note: USC/07
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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      21.277582]
    - [8.4981728, 0.024689538, -8.6487589e-06, 1.0779325e-09, -6.434057e-16, 4428.8174,
      -18.441397]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
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- name: tC4H9
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  note: P11/94
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      24.805366]
    - [7.6607261, 0.023879414, -8.0890353e-06, 1.2057521e-09, -6.5009814e-14, 1620.7623,
      -14.800281]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
    diameter: 5.176
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    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C4H10
  composition: {H: 10.0, C: 4.0}
  note: P11/94
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      17.908045]
    - [10.526774, 0.023590738, -7.852248e-06, 1.1448408e-09, -5.9827703e-14, -2.0479223e+04,
      -32.198579]
  transport:
    model: gas
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    well-depth: 357.0
    diameter: 5.176
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    rotational-relaxation: 1.0
- name: iC4H10
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  note: P11/94
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      21.150935]
    - [10.846169, 0.023338389, -7.7833962e-06, 1.1393807e-09, -5.9918289e-14, -2.1669854e+04,
      -35.870573]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
    diameter: 5.176
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    polarizability: 0.0
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- name: H2C4O
  composition: {H: 2.0, C: 4.0, O: 1.0}
  note: USC/07
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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      9.42101]
    - [8.4292183, 0.010502701, -4.2066836e-06, 7.1184902e-10, -3.5796602e-14, 2.2907807e+04,
      -16.511997]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
    diameter: 5.18
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- name: C4H4O
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  note: T03/97
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
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      -5367.85445, 21.4945172]
    - [9.38935003, 0.0140291241, -5.0775511e-06, 8.24137332e-10, -4.95319963e-14,
      -8682.41814, -27.916292]
  transport:
    model: gas
    geometry: linear
    well-depth: 357.0
    diameter: 5.18
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    rotational-relaxation: 1.0
- name: CH2CHCHCHO
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  note: USC/07
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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      20.613544]
    - [8.3010607, 0.019945331, -8.2903771e-06, 1.5100753e-09, -9.1581155e-14, 157.88387,
      -16.910566]
  transport:
    model: gas
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    diameter: 5.18
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    rotational-relaxation: 1.0
- name: CH3CHCHCO
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  note: USC/07
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
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      4.2043533]
    - [7.7608204, 0.020031804, -8.0631016e-06, 1.3361392e-09, -6.2308408e-14, 4570.8291,
      -11.095638]
  transport:
    model: gas
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    well-depth: 357.0
    diameter: 5.18
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- name: C2H3CHOCH2
  composition: {H: 6.0, C: 4.0, O: 1.0}
  note: A8/83
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      21.889698]
    - [-4.7209336, 0.039141378, -6.5287265e-06, -7.682095e-09, 2.5147331e-12, 1753.52252,
      51.719042]
  transport:
    model: gas
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    diameter: 5.18
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    rotational-relaxation: 1.0
- name: C4H6O23
  composition: {H: 6.0, C: 4.0, O: 1.0}
  note: T3/97
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 5000.0]
    data:
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      -1.02787872e+04, 14.5722395]
    - [8.60658242, 0.0208310051, -8.42229481e-06, 1.5671764e-09, -1.09391202e-13,
      -1.32392815e+04, -23.246475]
  transport:
    model: gas
    geometry: linear
    well-depth: 357.0
    diameter: 5.18
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- name: CH3CHCHCHO
  composition: {H: 6.0, C: 4.0, O: 1.0}
  note: T5/92
  thermo:
    model: NASA7
    temperature-ranges: [298.15, 1000.0, 3000.0]
    data:
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      37.470758]
    - [19.879454, -0.020913055, 4.45360508e-05, -2.6037487e-08, 4.8683612e-12, -1.95278768e+04,
      -68.720032]
  transport:
    model: gas
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- name: C4H6O25
  composition: {H: 6.0, C: 4.0, O: 1.0}
  note: T3/97
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 5000.0]
    data:
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      -1.46572472e+04, 14.5722395]
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      -1.76177415e+04, -23.246475]
  transport:
    model: gas
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- name: C5H4O
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  note: T8/99
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
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      5111.59287, 23.5409513]
    - [10.0806824, 0.0161143465, -5.83314509e-06, 9.4675932e-10, -5.68972206e-14,
      1943.64771, -29.4521623]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 464.8
    diameter: 5.29
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- name: C5H5O(1,3)
  composition: {H: 5.0, C: 5.0, O: 1.0}
  note: DU0997
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      38.676682]
    - [9.243144, 0.022201257, -9.3105946e-06, 1.7155222e-09, -1.0613969e-13, 1590.8394,
      -24.087738]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 494.0
    diameter: 5.2
    dipole: 1.6
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C5H5O(2,4)
  composition: {H: 5.0, C: 5.0, O: 1.0}
  note: D9/97
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      39.591522]
    - [8.5405312, 0.02298951, -9.5437563e-06, 1.7061612e-09, -9.745936e-14, 2.2263699e+04,
      -20.818825]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 494.0
    diameter: 5.2
    dipole: 1.6
    polarizability: 0.0
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- name: C5H4OH
  composition: {H: 5.0, C: 5.0, O: 1.0}
  note: T8/99
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
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    - [13.3741248, 0.0151996469, -5.45685046e-06, 8.80944866e-10, -5.27493258e-14,
      2203.58027, -45.9569069]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 464.8
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    rotational-relaxation: 0.0
- name: C5H5OH
  composition: {H: 6.0, C: 5.0, O: 1.0}
  note: HWZD99
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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    - [3.489397, 0.0380526, -2.1654527e-05, 5.9238574e-09, -6.2763461e-13, -8213.1025,
      7.1248055]
  transport:
    model: gas
    geometry: nonlinear
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    diameter: 5.29
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    rotational-relaxation: 0.0
- name: C5H5
  composition: {H: 5.0, C: 5.0}
  note: T12/89
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 2000.0]
    data:
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      16.585519]
    - [7.4743938, 0.016012733, -6.4823148e-09, -3.5819703e-09, 9.2365071e-13, 2.8086e+04,
      -16.133]
  transport:
    model: gas
    geometry: linear
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- name: C5H6
  composition: {H: 6.0, C: 5.0}
  note: T1/90
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
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      21.353453]
    - [9.9757848, 0.018905543, -6.8411461e-06, 1.109934e-09, -6.6680236e-14, 1.1081693e+04,
      -32.209454]
  transport:
    model: gas
    geometry: linear
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- name: lC5H7
  composition: {H: 7.0, C: 5.0}
  note: HWZD99
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      45.148109]
    - [2.224648, 0.039601296, -2.2345617e-05, 6.0649676e-09, -6.3840047e-13, 2.2303428e+04,
      14.009951]
  transport:
    model: gas
    geometry: linear
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    rotational-relaxation: 1.0
- name: cC5H9
  composition: {H: 9.0, C: 5.0}
  note: T03/97
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
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      27.389773]
    - [11.406802, 0.022563988, -7.0235595e-06, 1.1321968e-09, -7.3438204e-14, 7526.8769,
      -39.63628]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
    diameter: 5.18
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    rotational-relaxation: 1.0
- name: cC5H8
  composition: {H: 8.0, C: 5.0}
  note: T03/97
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
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      15.294056]
    - [7.7244792, 0.028322316, -1.1545236e-05, 2.1540815e-09, -1.5054178e-13, -782.61573,
      -19.769698]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
    diameter: 5.18
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    rotational-relaxation: 1.0
- name: C6H2
  composition: {H: 2.0, C: 6.0}
  note: D11/99
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
    - [0.45099974, 0.067475192, -1.1809925e-04, 1.0367632e-07, -3.4851039e-11, 8.2173062e+04,
      17.704124]
    - [12.893918, 7.9145068e-03, -2.402724e-06, 2.4340149e-10, 3.1383246e-15, 7.9832406e+04,
      -40.771996]
  transport:
    model: gas
    geometry: linear
    well-depth: 357.0
    diameter: 5.18
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    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C6H3
  composition: {H: 3.0, C: 6.0}
  note: H6W/94
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      19.179199]
    - [5.8188343, 0.027933408, -1.7825427e-05, 5.3702536e-09, -6.1707627e-13, 8.518825e+04,
      -0.92147827]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 357.0
    diameter: 5.18
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    rotational-relaxation: 1.0
- name: l-C6H4
  composition: {H: 4.0, C: 6.0}
  note: H6W/94
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      22.31897]
    - [12.715182, 0.013839662, -4.376544e-06, 3.1541636e-10, 4.6619026e-14, 5.7031148e+04,
      -39.4646]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 412.3
    diameter: 5.349
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    rotational-relaxation: 1.0
- name: o-C6H4
  composition: {H: 4.0, C: 6.0}
  note: D11/99
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      40.587132]
    - [8.8432961, 0.020301474, -8.8674269e-06, 1.7264292e-09, -1.1786047e-13, 4.9317113e+04,
      -24.014301]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 464.8
    diameter: 5.29
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    polarizability: 10.32
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- name: C6H5
  composition: {H: 5.0, C: 6.0}
  note: D11/99
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      41.332535]
    - [8.597311, 0.02224163, -8.7199978e-06, 1.3788785e-09, -5.3146056e-14, 3.6261047e+04,
      -22.954643]
  transport:
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    diameter: 5.29
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    polarizability: 10.32
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- name: C6H6
  composition: {H: 6.0, C: 6.0}
  note: D11/99
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
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      43.889832]
    - [9.1381245, 0.023854433, -8.8127726e-06, 1.2099021e-09, -1.8221503e-14, 5204.3462,
      -29.115665]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 464.8
    diameter: 5.29
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    rotational-relaxation: 0.0
- name: C6H5CH2
  composition: {H: 7.0, C: 7.0}
  note: T08/90
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [0.4811154, 0.038512832, 3.2861492e-05, -7.6972721e-08, 3.5423068e-11, 2.3307027e+04,
      23.54882]
    - [14.04398, 0.023493873, -8.5375367e-06, 1.3890841e-09, -8.361442e-14, 1.8564203e+04,
      -51.665589]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 495.3
    diameter: 5.68
    dipole: 0.43
    polarizability: 12.3
    rotational-relaxation: 1.0
- name: C6H5CH3
  composition: {H: 8.0, C: 7.0}
  note: L6/87
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [1.6152663, 0.021099438, 8.5366018e-05, -1.3261066e-07, 5.5956604e-11, 4075.63,
      20.28221]
    - [12.940034, 0.026691287, -9.6838505e-06, 1.5738629e-09, -9.4663601e-14, -697.64908,
      -46.728785]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 495.3
    diameter: 5.68
    dipole: 0.43
    polarizability: 12.3
    rotational-relaxation: 1.0
- name: C6H5C2H
  composition: {H: 6.0, C: 8.0}
  note: H6W/94
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 3000.0]
    data:
    - [-5.2645016, 0.084511042, -7.6597848e-05, 3.3216978e-08, -4.7673063e-12, 3.5566242e+04,
      46.378815]
    - [24.090759, 7.82324e-04, 1.1453964e-05, -6.1620504e-09, 9.3346685e-13, 2.7429445e+04,
      -104.99631]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 535.6
    diameter: 5.72
    dipole: 0.77
    polarizability: 12.0
    rotational-relaxation: 1.0
- name: C6H5O
  composition: {H: 5.0, C: 6.0, O: 1.0}
  note: T05/02
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [-0.466204455, 0.0413443975, 1.32412991e-05, -5.72872769e-08, 2.89763707e-11,
      4778.58391, 27.6990274]
    - [13.722172, 0.0174688771, -6.3550452e-06, 1.03492308e-09, -6.23410504e-14, 287.274751,
      -48.818168]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 464.8
    diameter: 5.29
    dipole: 0.0
    polarizability: 10.32
    rotational-relaxation: 0.0
- name: C6H5OH
  composition: {H: 6.0, C: 6.0, O: 1.0}
  note: L4/84
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [-1.6956539, 0.052271299, -7.202405e-06, -3.5859603e-08, 2.0449073e-11, -1.3284121e+04,
      32.54216]
    - [14.912073, 0.018378135, -6.1983128e-06, 9.1983221e-10, -4.9209565e-14, -1.8375199e+04,
      -55.924103]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 464.8
    diameter: 5.29
    dipole: 0.0
    polarizability: 10.32
    rotational-relaxation: 0.0
- name: C6H4O2
  composition: {H: 4.0, C: 6.0, O: 2.0}
  note: PUML96
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [-0.95193005, 0.057842445, -3.8214439e-05, 4.6312656e-09, 3.6296651e-12, -1.7611047e+04,
      29.239513]
    - [11.73084, 0.023614995, -1.0234576e-05, 1.9532174e-09, -1.2746022e-13, -2.108577e+04,
      -36.300453]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 485.0
    diameter: 5.425
    dipole: 0.4
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C6H5CO
  composition: {H: 5.0, C: 7.0, O: 1.0}
  note: EST/BURP1/93
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 2500.0]
    data:
    - [-2.0251155, 0.061512541, -3.1603653e-05, -6.9724599e-09, 7.9835149e-12, 1.1255803e+04,
      35.778175]
    - [13.374409, 0.023999289, -1.0465724e-05, 2.1669131e-09, -1.8007045e-13, 6914.7837,
      -44.659218]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 593.0
    diameter: 5.5
    dipole: 2.8
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C6H5CHO
  composition: {H: 6.0, C: 7.0, O: 1.0}
  note: L3/86
  thermo:
    model: NASA7
    temperature-ranges: [298.15, 1000.0, 5000.0]
    data:
    - [-3.1627334, 0.066369245, -3.4816353e-05, -6.2999377e-09, 8.5807101e-12, -6116.9349,
      40.231735]
    - [13.650737, 0.025680419, -1.0466729e-05, 1.941343e-09, -1.3483792e-13, -1.1019744e+04,
      -47.965796]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 593.0
    diameter: 5.47
    dipole: 2.8
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C6H5CH2OH
  composition: {H: 8.0, C: 7.0, O: 1.0}
  note: L7/87
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [2.0642021, 0.02277514, 9.5972053e-05, -1.508511e-07, 6.4175832e-11, -1.4285021e+04,
      18.148312]
    - [15.281154, 0.027208501, -9.858466e-06, 1.6012183e-09, -9.6278057e-14, -1.9700471e+04,
      -59.418673]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 572.0
    diameter: 5.82
    dipole: 1.7
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: OC6H4CH3
  composition: {H: 7.0, C: 7.0, O: 1.0}
  note: EST/BURP1/93
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 2500.0]
    data:
    - [-0.28855777, 0.048003536, 1.8032993e-05, -6.1741488e-08, 2.8852587e-11, -689.45581,
      26.720068]
    - [22.609371, 7.564615e-03, 6.5960894e-06, -4.7150865e-09, 8.0409063e-13, -8202.5244,
      -97.292511]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 567.0
    diameter: 5.6
    dipole: 1.6
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: HOC6H4CH3
  composition: {H: 8.0, C: 7.0, O: 1.0}
  note: AVGCRESOL6/87
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [0.42258267, 0.045551636, 3.2012513e-05, -8.1121959e-08, 3.7665658e-11, -1.8202621e+04,
      26.032903]
    - [15.932987, 0.02701116, -9.9448722e-06, 1.6296689e-09, -9.8513298e-14, -2.3592065e+04,
      -59.732841]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 567.0
    diameter: 5.6
    dipole: 1.6
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C6H4CH3
  composition: {H: 7.0, C: 7.0}
  note: P1/93
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 2500.0]
    data:
    - [-3.1415942, 0.056723077, -8.6885111e-06, -3.4249616e-08, 1.9266902e-11, 3.5738547e+04,
      39.74284]
    - [11.615498, 0.027431838, -1.0899345e-05, 1.864183e-09, -1.0191607e-13, 3.1209334e+04,
      -38.994637]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 495.3
    diameter: 5.68
    dipole: 0.43
    polarizability: 12.3
    rotational-relaxation: 1.0
- name: NC12H26
  composition: {H: 26.0, C: 12.0}
  note: 1/2/7THERM
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1391.0, 5000.0]
    data:
    - [-2.62181594, 0.147237711, -9.43970271e-05, 3.07441268e-08, -4.0360223e-12,
      -4.00654253e+04, 50.0994626]
    - [38.5095037, 0.0563550048, -1.914932e-05, 2.96024862e-09, -1.7124415e-13, -5.48843465e+04,
      -172.670922]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 789.98
    diameter: 7.047
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: NC10H22
  composition: {H: 22.0, C: 10.0}
  note: 1/2/7THERM
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1391.0, 5000.0]
    data:
    - [-2.08416969, 0.122535012, -7.76815739e-05, 2.49834877e-08, -3.23548038e-12,
      -3.43021863e+04, 44.226014]
    - [31.9882239, 0.0477244922, -1.62276391e-05, 2.50963259e-09, -1.45215772e-13,
      -4.6639284e+04, -140.504121]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 704.917
    diameter: 6.675
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: NC9H20
  composition: {H: 20.0, C: 9.0}
  note: 1/2/7THERM
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1391.0, 5000.0]
    data:
    - [-1.81390458, 0.110176644, -6.93124463e-05, 2.20957601e-08, -2.83355715e-12,
      -3.14207716e+04, 41.282722]
    - [28.72896, 0.0434074576, -1.47660985e-05, 2.28420987e-09, -1.32194796e-13, -4.25174479e+04,
      -124.428751]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 660.032
    diameter: 6.467
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: NC8H18
  composition: {H: 18.0, C: 8.0}
  note: 1/2/7THERM
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1391.0, 5000.0]
    data:
    - [-1.54218406, 0.0978112063, -6.09318358e-05, 1.92005591e-08, -2.4299625e-12,
      -2.85395641e+04, 38.3327978]
    - [25.4710194, 0.0390887037, -1.33038777e-05, 2.05867527e-09, -1.19167174e-13,
      -3.83962755e+04, -108.361094]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 613.127
    diameter: 6.25
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: NC7H16
  composition: {H: 16.0, C: 7.0}
  note: 1/2/7THERM
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1391.0, 5000.0]
    data:
    - [-1.26836187, 0.085435582, -5.25346786e-05, 1.62945721e-08, -2.02394925e-12,
      -2.56586565e+04, 35.3732912]
    - [22.2148969, 0.034767575, -1.18407129e-05, 1.83298478e-09, -1.06130266e-13,
      -3.42760081e+04, -92.3040196]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 564.03
    diameter: 6.004
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: NC6H14
  composition: {H: 14.0, C: 6.0}
  note: 1/2/7THERM
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1390.0, 5000.0]
    data:
    - [-0.969606184, 0.0729085608, -4.38853919e-05, 1.32312807e-08, -1.58437423e-12,
      -2.27803862e+04, 32.3069798]
    - [18.9634117, 0.0304480204, -1.03794829e-05, 1.60775457e-09, -9.31269728e-14,
      -3.01628739e+04, -76.2839355]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 512.225
    diameter: 5.742
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C6H12
  composition: {H: 12.0, C: 6.0}
  note: 1/22/7THERM
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1392.0, 5000.0]
    data:
    - [-1.35275205, 0.0698655426, -4.59408022e-05, 1.56967343e-08, -2.21296175e-12,
      -7343.68617, 35.3120691]
    - [17.8337529, 0.0267377658, -9.10036773e-06, 1.40819768e-09, -8.15124244e-14,
      -1.4206286e+04, -68.3818851]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 504.629
    diameter: 5.628
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: NC5H12
  composition: {H: 12.0, C: 5.0}
  note: 1/2/7THERM
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1390.0, 5000.0]
    data:
    - [-0.736766122, 0.0607200973, -3.57592761e-05, 1.04907042e-08, -1.21487315e-12,
      -1.98934934e+04, 29.5358287]
    - [15.7257603, 0.0261086045, -8.90970996e-06, 1.38102248e-09, -8.00296536e-14,
      -2.60519543e+04, -60.3365457]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 458.182
    diameter: 5.445
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
- name: C5H10
  composition: {H: 10.0, C: 5.0}
  note: 1/2/7THERM
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1392.0, 5000.0]
    data:
    - [-1.06223481, 0.0574218294, -3.7448689e-05, 1.27364989e-08, -1.79609789e-12,
      -4465.46666, 32.273979]
    - [14.5851539, 0.0224072471, -7.63348025e-06, 1.18188966e-09, -6.84385139e-14,
      -1.00898205e+04, -52.3683936]
  transport:
    model: gas
    geometry: nonlinear
    well-depth: 448.508
    diameter: 5.342
    dipole: 0.0
    polarizability: 0.0
    rotational-relaxation: 1.0
