Spaces:
Running
Running
File size: 10,554 Bytes
ad37be7 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 | fuel1_inchi,fuel2_inchi,fuel3_inchi,frac_fuel1 (molar),frac_fuel2 (molar),DCN,Name,num_components
CCCCCCC,CC(C)CC(C)(C)C,,0.5297,,40.1,52.97%n-heptane-47.03%iso-octane,2
CCCCCCC,CC(C)CC(C)(C)C,,0.4288,,36.1,42.88%n-heptane-57.11%iso-octane,2
CCCCCCC,CC(C)CC(C)(C)C,,0.3255,,31.6,32.55%n-heptane-67.45%iso-octane,2
CCCCCCC,CC(C)CC(C)(C)C,,0.2197,,27.7,21.97%n-heptane-78.03%iso-octane,2
CCCCCCC,CC(C)CC(C)(C)C,,0.1112,,23.3,11.12%n-heptane-88.88%iso-octane,2
CCCCCCC,CC1=CC=CC=C1,,0.5209,,36.7,52.09%n-heptane-47.91%toluene,2
CCCCCCC,CC1=CC=CC=C1,,0.4697,,34.1,46.97%n-heptane-53.03%toluene,2
CCCCCCC,CC1=CC=CC=C1,,0.4202,,31.0,42.02%n-heptane-57.98%toluene,2
CCCCCCC,CC1=CC=CC=C1,,0.3722,,28.3,37.22%n-heptane-62.78%toluene,2
CCCCCCC,CC1=CC=CC=C1,,0.3258,,25.8,32.58%n-heptane-67.42%toluene,2
CCCCCCC,CC1=CC=CC=C1,,0.2807,,22.9,28.07%n-heptane-71.93%toluene,2
CCCCCCC,CC1=CC=CC=C1,,0.237,,19.8,23.70%n-heptane-76.30%toluene,2
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.3683,0.4905,32.2,36.83%n-heptane-49.05%iso-octane-14.12%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.3131,0.417,29.1,31.31%n-heptane-41.70%iso-octane-27.00%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.2625,0.3496,26.2,26.25%n-heptane-34.96%iso-octane-38.80%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.2159,0.2876,22.7,21.59%n-heptane-28.76%iso-octane-49.65%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.2791,0.5783,28.9,27.91%n-heptane-57.83%iso-octane-14.26%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.2369,0.4908,26.3,23.69%n-heptane-49.08%iso-octane-27.24%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.1983,0.4108,23.7,19.83%n-heptane-41.08%iso-octane-39.09%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.1629,0.3375,19.9,16.29%n-heptane-33.75%iso-octane-49.95%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.188,0.6678,25.4,18.80%n-heptane-66.78%iso-octane-14.41%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.1593,0.5659,22.8,15.93%n-heptane-56.59%iso-octane-27.48%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.1332,0.473,19.8,13.32%n-heptane-47.30%iso-octane-39.38%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.1093,0.3881,16.5,10.93%n-heptane-38.81%iso-octane-50.26%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.095,0.7593,21.1,9.50%n-heptane-75.93%iso-octane-14.57%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.0804,0.6423,18.3,8.04%n-heptane-64.23%iso-octane-27.73%toluene,3
CCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.0671,0.5362,15.6,6.71%n-heptane-53.62%iso-octane-39.67%toluene,3
CC(C)CC(C)(C)C,CCCCC=C,,0.8721,,21.02,87.21%iso-octane-12.79%1-hexene,2
CC(C)CC(C)(C)C,CCCCC=C,,0.7519,,21.17,75.19%iso-octane-24.81%1-hexene,2
CC(C)CC(C)(C)C,CCCCC=C,,0.6387,,22.9,63.87%iso-octane-36.13%1-hexene,2
CC(C)CC(C)(C)C,CCCCC=C,,0.5319,,24.02,53.19%iso-octane-46.81%1-hexene,2
CC(C)CC(C)(C)C,CCCCC=C,,0.431,,24.51,43.10%iso-octane-56.90%1-hexene,2
CC(C)CC(C)(C)C,CCCCC=C,,0.3356,,25.34,33.56%iso-octane-66.44%1-hexene,2
CC(C)CC(C)(C)C,CCCCC=C,,0.2451,,26.5,24.51%iso-octane-75.49%1-hexene,2
CC(C)CC(C)(C)C,CCCCC=C,,0.1592,,27.2,15.92%iso-octane-84.08%1-hexene,2
CC(C)CC(C)(C)C,CCCCC=C,,0.0776,,28.2,7.76%iso-octane-92.24%1-hexene,2
CC(C)CC(C)(C)C,C1CCCCC1,,0.8549,,18.12,85.49%iso-octane-14.51%cyclohexane,2
CC(C)CC(C)(C)C,C1CCCCC1,,0.7237,,18.2,72.37%iso-octane-27.63%cyclohexane,2
CC(C)CC(C)(C)C,C1CCCCC1,,0.6044,,18.28,60.44%iso-octane-39.56%cyclohexane,2
CC(C)CC(C)(C)C,C1CCCCC1,,0.4955,,18.34,49.55%iso-octane-50.45%cyclohexane,2
CC(C)CC(C)(C)C,C1CCCCC1,,0.3957,,18.43,39.57%iso-octane-60.43%cyclohexane,2
CC(C)CC(C)(C)C,C1CCCCC1,,0.3039,,18.69,30.39%iso-octane-69.61%cyclohexane,2
CC(C)CC(C)(C)C,C1CCCCC1,,0.2191,,19.04,21.91%iso-octane-78.09%cyclohexane,2
CC(C)CC(C)(C)C,C1CCCCC1,,0.1407,,19.45,14.07%iso-octane-85.93%cyclohexane,2
CC(C)CC(C)(C)C,C1CCCCC1,,0.6782,,19.68,67.82%iso-octane-93.22%cyclohexane,2
CC(C)CC(C)(C)C,C1CCC2=CC=CC=C2C1,,0.8799,,15.51,87.99%iso-octane-12.01%tetralin,2
CC(C)CC(C)(C)C,C1CCC2=CC=CC=C2C1,,0.765,,13.17,76.50%iso-octane-23.50%tetralin,2
CC(C)CC(C)(C)C,C1CCC2=CC=CC=C2C1,,0.6551,,11.74,65.51%iso-octane-34.49%tetralin,2
CC(C)CC(C)(C)C,C1CCC2=CC=CC=C2C1,,0.5497,,10.63,54.97%iso-octane-45.03%tetralin,2
CC(C)CC(C)(C)C,C1CCC2=CC=CC=C2C1,,0.4487,,9.66,44.87%iso-octane-55.13%tetralin,2
CC(C)CC(C)(C)C,C1CCC2=CC=CC=C2C1,,0.3518,,9.22,35.18%iso-octane-64.82%tetralin,2
CC(C)CC(C)(C)C,C1CCC2=CC=CC=C2C1,,0.2586,,9.2,25.86%iso-octane-74.14%tetralin,2
CC(C)CC(C)(C)C,C1CCC2=CC=CC=C2C1,,0.1691,,9.0,16.91%iso-octane-83.09%tetralin,2
CC(C)CC(C)(C)C,C1CCC2=CC=CC=C2C1,,0.0829,,8.92,8.29%iso-octane-91.71%tetralin,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.354,,45.0,35.4%n-decane-64.6%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.467,,50.0,46.7%n-decane-53.3%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.61,,55.0,61%n-decane-39%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.744,,59.1,74.4%n-decane-25.6%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.934,,65.0,93.4%n-decane-6.6%iso-octane,2
CCCCCCCCCC,CC1=CC=CC=C1,,0.796,,62.14,79.6%n-decane-20.4%toluene,2
CCCCCCCCCC,CC1=CC=CC=C1,,0.592,,54.14,59.2%n-decane-40.8%toluene,2
CCCCCCCCCC,CC1=CC=CC=C1,,0.196,,28.58,19.6%n-decane-80.4%toluene,2
CCCCCCCCCC,CC1=CC=CC=C1,,0.398,,44.18,39.8%n-decane-60.2%toluene,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.807,,61.21,80.7%n-decane-19.3%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.603,,55.08,60.3%n-decane-39.7%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.4,,46.93,40%n-decane-60%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.201,,36.59,20.1%n-decane-79.9%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.807,,36.93,80.7%n-decane-19.3%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.603,,43.27,60.3%n-decane-39.7%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.4,,32.99,40%n-decane-60%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.201,,31.66,20.1%n-decane-79.9%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.683,0.172,57.14,68.3%n-decane-17.2%iso-octane-14.5%toluene,3
CCCCCCCCCC,CC(C)CC(C)(C)C,CC1=CC=CC=C1,0.376,0.454,45.52,37.6%n-decane-45.4%iso-octane-17%toluene,3
CCCCCCCCCCCC,CC(C)CC(C)(C)C,,0.261,,45.0,26.1%n-dodecane-73.9%iso-octane,2
CCCCCCCCCCCC,CC(C)CC(C)(C)C,,0.346,,50.0,34.6%n-dodecane-65.4%iso-octane,2
CCCCCCCCCCCC,CC(C)CC(C)(C)C,,0.442,,55.0,44.2%n-dodecane-55.8%iso-octane,2
CCCCCCCCCCCC,CC(C)CC(C)(C)C,,0.519,,59.1,51.9%n-dodecane-48.1%iso-octane,2
CCCCCCCCCCCC,CC(C)CC(C)(C)C,,0.662,,65.0,66.2%n-dodecane-33.8%iso-octane,2
CCCCCCCCCCCCCCCC,C(C)(C)CC(C)CC(C)(C)CC(C)(C)C,,0.286,,45.0,28.6%n-cetane-71.4%iso-cetane,2
CCCCCCCCCCCCCCCC,C(C)(C)CC(C)CC(C)(C)CC(C)(C)C,,0.349,,50.0,34.9%n-cetane-65.1%iso-cetane,2
CCCCCCCCCCCCCCCC,C(C)(C)CC(C)CC(C)(C)CC(C)(C)C,,0.41,,55.0,41%n-cetane-59%iso-cetane,2
CCCCCCCCCCCCCCCC,C(C)(C)CC(C)CC(C)(C)CC(C)(C)C,,0.459,,59.1,45.9%n-cetane-54.1%iso-cetane,2
CCCCCCCCCCCCCCCC,C(C)(C)CC(C)CC(C)(C)CC(C)(C)C,,0.527,,65.0,52.7%n-cetane-47.3%iso-cetane,2
CCCCCCCCCCCC,CC(C)CC(C)(C)C,,0.261,,45.0,26.1%n-dodecane-73.9%iso-octane,2
CCCCCCCCCCCC,CC(C)CC(C)(C)C,,0.346,,50.0,34.6%n-dodecane-65.4%iso-octane,2
CCCCCCCCCCCC,CC(C)CC(C)(C)C,,0.442,,55.0,44.2%n-dodecane-55.8%iso-octane,2
CCCCCCCCCCCC,CC(C)CC(C)(C)C,,0.519,,59.1,51.9%n-dodecane-48.1%iso-octane,2
CCCCCCCCCCCC,CC(C)CC(C)(C)C,,0.662,,65.0,66.2%n-dodecane-33.8%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.354,,45.0,35.4%n-decane-64.6%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.467,,50.0,46.7%n-decane-53.3%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.61,,55.0,61%n-decane-39%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.744,,59.1,74.4%n-decane-25.6%iso-octane,2
CCCCCCCCCC,CC(C)CC(C)(C)C,,0.934,,65.0,93.4%n-decane-6.6%iso-octane,2
CCCCCCC,CCCCC1CCCCC1,,0.2037,,48.4915,20.37%n-heptane-79.63%n-butylcyclohexane,2
CCCCCCC,CCCCC1CCCCC1,,0.4056,,49.4207,40.56%n-heptane-59.44%n-butylcyclohexane,2
CCCCCCC,CCCCC1CCCCC1,,0.5996,,50.2142,59.96%n-heptane-40.04%n-butylcyclohexane,2
CCCCCCC,CCCCC1CCCCC1,,0.7968,,51.4173,79.68%n-heptane-20.32%n-butylcyclohexane,2
CCCCCCC,C1CCC2CCCCC2C1,,0.1993,,40.4283,19.93%n-heptane-80.07%decalin,2
CCCCCCC,C1CCC2CCCCC2C1,,0.398,,42.998,39.8%n-heptane-60.2%decalin,2
CCCCCCC,C1CCC2CCCCC2C1,,0.5982,,45.4308,59.82%n-heptane-40.18%decalin,2
CCCCCCC,C1CCC2CCCCC2C1,,0.7984,,50.4604,79.84%n-heptane-20.16%decalin,2
CCCCCCC,C1CCCCCC1,,0.3996,,40.1276,39.96%n-heptane-60.04%cycloheptane,2
CCCCCCC,C1CCCCCC1,,0.6076,,44.0627,60.76%n-heptane-39.24%cycloheptane,2
CCCCCCC,C1CCCCCC1,,0.7969,,48.8205,79.69%n-heptane-20.31%cycloheptane,2
CCCCCCC,CC1CCCCC1,,0.2011,,29.6308,20.11%n-heptane-79.89%methylcyclohexane,2
CCCCCCC,CC1CCCCC1,,0.4012,,35.8905,40.12%n-heptane-59.88%methylcyclohexane,2
CCCCCCC,CC1CCCCC1,,0.603,,41.6032,60.3%n-heptane-39.7%methylcyclohexane,2
CCCCCCC,CC1CCCCC1,,0.7969,,47.7271,79.69%n-heptane-20.31%methylcyclohexane,2
CCCCCCC,C1CCCCCCC1,,0.198,,27.5811,19.80%n-heptane-80.20%cyclooctane,2
CCCCCCC,C1CCCCCCC1,,0.3982,,31.7907,39.82%n-heptane-60.18%cyclooctane,2
CCCCCCC,C1CCCCCCC1,,0.5984,,39.4171,59.84%n-heptane-40.16%cyclooctane,2
CCCCCCC,C1CCCCCCC1,,0.7954,,45.9505,79.54%n-heptane-20.46%cyclooctane,2
CCCCCCC,C1CCCCC1,,0.2012,,25.1206,20.12%n-heptane-79.88%cyclohexane,2
CCCCCCC,C1CCCCC1,,0.3983,,30.5606,39.83%n-heptane-60.17%cyclohexane,2
CCCCCCC,C1CCCCC1,,0.5984,,38.3237,59.84%n-heptane-40.16%cyclohexane,2
CCCCCCC,C1CCCCC1,,0.8016,,45.403,80.16%n-heptane-15.43%cyclohexane,2
CCCCCCC,C1CCCC1,,0.1983,,19.3806,19.83%n-heptane-80.17%cyclopentane,2
CCCCCCC,C1CCCC1,,0.3783,,24.2763,37.83%n-heptane-62.17%cyclopentane,2
CCCCCCC,C1CCCC1,,0.5984,,36.6836,59.84%n-heptane-40.16%cyclopentane,2
CCCCCCC,C1CCCC1,,0.7985,,44.8567,79.85%n-heptane-20.15%cyclopentane,2
CCCCCCCCCCCCCCCC,CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,,0.8819,,90.0,"88.19%n-hexadecane-11.81%2,2,4,4,6,8,8-heptamethylnonane",2
CCCCCCCCCCCCCCCC,CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,,0.764,,80.0,"76.4%n-hexadecane-23.6%2,2,4,4,6,8,8-heptamethylnonane",2
CCCCCCCCCCCCCCCC,CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,,0.6461,,70.0,"64.61%n-hexadecane-35.39%2,2,4,4,6,8,8-heptamethylnonane",2
CCCCCCCCCCCCCCCC,CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,,0.5284,,60.0,"52.84%n-hexadecane-47.16%2,2,4,4,6,8,8-heptamethylnonane",2
CCCCCCCCCCCCCCCC,CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,,0.4108,,50.0,"41.08%n-hexadecane-58.92%2,2,4,4,6,8,8-heptamethylnonane",2
CCCCCCCCCCCCCCCC,CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,,0.2933,,40.0,"29.33%n-hexadecane-70.67%2,2,4,4,6,8,8-heptamethylnonane",2
CCCCCCCCCCCCCCCC,CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,,0.1759,,30.0,"17.59%n-hexadecane-82.41%2,2,4,4,6,8,8-heptamethylnonane",2
CCCCCCCCCCCCCCCC,CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,,0.0586,,20.0,"5.86%n-hexadecane-94.14%2,2,4,4,6,8,8-heptamethylnonane",2
|