| A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z | AA | AB | AC | AD | AE | AF | AG | AH | AI | AJ | AK | AL | AM | AN | AO | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | Molecule | Alternative Name | Formula | H/C | MW, g/mol | Molar Volume, mL/mol | Source | Specific Energy, MJ/kg | Source | Energy Density, MJ/L | T1, C (preferably 15 C) | Density @ T1, g/cc | Source | T2, C (preferably -20 C) | Density @ T2, g/cc | Source | Viscosity at T2, Pa-s | Viscosity at T2, mm^2/s | Source | T3, C (for viscosity interpolation) | Density at T3, g/cc (if necessary) | Viscosity at T3, Pa-s | Viscosity at T3, mm^2/s | Source | Viscosity at -40 C, Pa/s | Viscosity at -40 C, mm2/s | Viscosity @ -40 via ASTM D341, cSt | Melting Point, C | Source | Flash Point, C | Source | Boiling Point, C | Source | Aromatic Volume Percent | Decalin Percent | Naphthalene Percent | DCN | Source | TSI | Source | Molecular Group |
2 | n-heptane | C7H16 | 2.285714286 | 100.205 | 145.7 | 24 | 44.93 | 3 | 30.9086949 | 15 | 0.68793 | 1 | -20 | 0.717 | 1 | 0.000705 | 0.9832635983 | 1 | 15 | 4.36E-04 | 6.34E-01 | 1 | 8.59E-04 | 1.18E+00 | -90.58 | 5 | 5.86 | 4 | 98.38 | 1 | 0 | 0 | 0 | 53.86 | 6 | n-alkane | |||||
3 | n-octane | C8H18 | 2.25 | 114.232 | 161.7 | 24 | 44.78 | 3 | 31.6245316 | 15 | 0.70622 | 1 | -20 | 0.73417 | 1 | 0.0009869 | 1.344239073 | 1 | 15 | 5.77E-04 | 8.17E-01 | 1 | 1.22E-03 | 1.65E+00 | -56.77 | 5 | 20.3 | 4 | 125.62 | 1 | 0 | 0 | 0 | 61.3 | 6 | n-alkane | |||||
4 | n-nonane | C9H20 | 2.222222222 | 128.259 | 177.8 | 24 | 44.68 | 3 | 32.2535984 | 15 | 0.72188 | 1 | -20 | 0.7495 | 1 | 0.001379 | 1.839893262 | 1 | 15 | 7.47E-04 | 1.04E+00 | 1 | 1.74E-03 | 2.30E+00 | -53.49 | 5 | 37.2 | 4 | 150.76 | 1 | 0 | 0 | 0 | 60.9 | 6 | n-alkane | |||||
5 | n-decane | C10H22 | 2.2 | 142.286 | 194 | 24 | 44.6 | 3 | 32.74532 | 15 | 0.7342 | 1 | -20 | 0.7616 | 1 | 0.00192 | 2.521008403 | 1 | 15 | 9.86E-04 | 1.34E+00 | 1 | 2.45E-03 | 3.19E+00 | -29.64 | 5 | 49.3 | 4 | 174.12 | 1 | 0 | 0 | 0 | 66.35 | 6 | n-alkane | |||||
6 | n-undecane | C11H24 | 2.181818182 | 156.313 | 210.2 | 24 | 44.52 | 3 | 33.1264416 | 15 | 0.74408 | 1 | -10 | 0.76251 | 1 | 0.00222 | 2.911437227 | 1 | 15 | 1.28E-03 | 1.72E+00 | 1 | 3.34E-03 | 4.34E+00 | -25.579 | 5 | 59.9 | 4 | 195.88 | 1 | 0 | 0 | 0 | 81 | 6 | n-alkane | |||||
7 | n-dodecane | C12H26 | 2.166666667 | 170.34 | 226.5 | 24 | 44.48 | 3 | 33.4969984 | 15 | 0.75308 | 1 | -9 | 0.7711 | 1 | 0.002849 | 3.694721826 | 1 | 15 | 1.64E-03 | 2.17E+00 | 1 | 4.41E-03 | 5.66E+00 | -9.582 | 5 | 70.9 | 4 | 216.29 | 1 | 0 | 0 | 0 | 73.45 | 6 | n-alkane | |||||
8 | n-tridecane | C13H28 | 2.153846154 | 184.367 | 242.3 | 24 | 44.42 | 3 | 33.7538696 | 15 | 0.75988 | 1 | 0 | 0.77047 | 1 | 0.002963 | 3.84570457 | 1 | 15 | 2.09E-03 | 2.75E+00 | 1 | 5.29E-03 | 6.77E+00 | -5.39 | 5 | 94.9 | 4 | 235.46 | 1 | 0 | 0 | 0 | 89.5 | 6 | n-alkane | |||||
9 | n-tetradecane | C14H30 | 2.142857143 | 198.394 | 260.2 | 24 | 44.37 | 3 | 34.0193664 | 15 | 0.76672 | 1 | 10 | 0.77042 | 1 | 0.00291 | 3.77716051 | 1 | 30 | 7.56E-01 | 1.88E-03 | 2.49E+00 | 1 | 5.48E-03 | 7.00E+00 | 5.86 | 5 | 99.2 | 4 | 253.55 | 1 | 0 | 0 | 0 | 90.05 | 6 | n-alkane | ||||
10 | n-pentadecane | C15H32 | 2.133333333 | 212.421 | 275.4 | 24 | 44.34 | 3 | 34.2180648 | 15 | 0.77172 | 1 | 20 | 0.7684 | 1 | 0.002827 | 3.679073399 | 1 | 30 | 7.62E-01 | 2.27E-03 | 2.99E+00 | 1 | 6.15E-03 | 7.84E+00 | 9.922 | 5 | 122 | 4 | 270.63 | 1 | 0 | 0 | 0 | 96.5 | 6 | n-alkane | ||||
11 | n-hexadecane | C16H34 | 2.125 | 226.448 | 291.6 | 24 | 44.3 | 3 | 34.325855 | 18 | 0.77485 | 1 | 20 | 0.77348 | 1 | 0.0035 | 4.525003879 | 1 | 30 | 7.67E-01 | 2.70E-03 | 3.52E+00 | 1 | 8.30E-03 | 1.05E+01 | 18.158 | 5 | 132 | 4 | 286.95 | 1 | 0 | 0 | 0 | 99.66 | 6 | n-alkane | ||||
12 | n-heptadecane | C17H36 | 2.117647059 | 240.475 | 308.7 | 24 | 44.28 | 3 | 34.3874052 | 22 | 0.77659 | 1 | 22 | 0.77659 | 1 | 0.004 | 5.150723033 | 1 | 30 | 0.77114 | 3.29E-03 | 4.26E+00 | 1 | 9.53E-03 | 1.20E+01 | 21.984 | 5 | 144 | 4 | 302.75 | 1 | 0 | 0 | 0 | 105 | 6 | n-alkane | ||||
13 | 2-methylhexane | C7H16 | 2.285714286 | 100.205 | 147 | 24 | 44.85 | 3 | 30.6365865 | 15 | 0.68309 | 1 | 0 | 0.69601 | 1 | 0.00047 | 0.6752776541 | 1 | 15 | 3.99E-04 | 5.84E-01 | 1 | 6.59E-04 | 9.18E-01 | -118.25 | 5 | 4.1 | 4 | 89.97 | 1 | 0 | 0 | 0 | 43.5 | 6 | 2-methyl iso-alkane | |||||
14 | 2-methylheptane | C8H18 | 2.25 | 114.232 | 162.5 | 24 | 44.72 | 3 | 31.377788 | 15 | 0.70165 | 1 | 0 | 0.71353 | 1 | 0.000646 | 0.9053578686 | 1 | 15 | 5.46E-04 | 7.78E-01 | 1 | 9.13E-04 | 1.24E+00 | -108.99 | 5 | 11.5 | 4 | 117.627 | 1 | 0 | 0 | 0 | 52.6 | 6 | 2-methyl iso-alkane | |||||
15 | 2-methyloctane | C9H20 | 2.222222222 | 128.259 | 178.9 | 24 | 44.63 | 3 | 32.0019415 | 15 | 0.71705 | 1 | -3 | 0.7308 | 1 | 0.001 | 1.368363437 | 1 | 15 | 7.50E-04 | 1.05E+00 | 1 | 1.51E-03 | 2.03E+00 | -80.1 | 5 | 34.8 | 4 | 142.97 | 1 | 0 | 0 | 0 | 52.63154007 | 7 | 2-methyl iso-alkane | |||||
16 | 2-methylnonane | C10H22 | 2.2 | 142.286 | 194.9 | 24 | 44.54 | 3 | 32.523108 | 15 | 0.7302 | 1 | 0 | 0.7411 | 1 | 0.00091 | 1.227904466 | 1 | 15 | 7.10E-04 | 9.72E-01 | 1 | 1.44E-03 | 1.91E+00 | -74.65 | 5 | 40.4 | 4 | 166.85 | 1 | 0 | 0 | 0 | 57.42286725 | 7 | 2-methyl iso-alkane | |||||
17 | 2-methyldecane | C11H24 | 2.181818182 | 156.313 | 210.5 | 11 | 44.48 | 3 | 32.924096 | 15 | 0.7402 | 1 | 0 | 0.7512 | 1 | 0.001639 | 2.181842386 | 1 | 15 | 1.22E-03 | 1.65E+00 | 1 | 2.76E-03 | 3.60E+00 | -48.85 | 5 | 51.7 | 4 | 189.19 | 1 | 0 | 0 | 0 | 61.97165613 | 7 | 2-methyl iso-alkane | |||||
18 | 2-methylundecane | C12H26 | 2.166666667 | 170.34 | 227 | 11 | 44.43 | 3 | 33.286956 | 15 | 0.7492 | 1 | -3 | 0.7618 | 1 | 0.0024 | 3.150433185 | 1 | 15 | 1.57E-03 | 2.10E+00 | 1 | 4.11E-03 | 5.32E+00 | -46 | 5 | 60.8 | 4 | 211.45 | 1 | 0 | 0 | 0 | 66.32263008 | 7 | 2-methyl iso-alkane | |||||
19 | 2-methyldodecane | C13H28 | 2.153846154 | 184.367 | 243.5 | 11 | 44.38 | 3 | 33.608974 | 15 | 0.7573 | 1 | -3 | 0.7702 | 1 | 0.0031 | 4.02492859 | 1 | 15 | 1.99E-03 | 2.63E+00 | 1 | 5.38E-03 | 6.90E+00 | -26 | 5 | 72.4 | 4 | 230.51 | 1 | 0 | 0 | 0 | 70.50773737 | 7 | 2-methyl iso-alkane | |||||
20 | 2-methyltridecane | C14H30 | 2.142857143 | 198.388 | 260 | 11 | 44.34 | 3 | 33.884628 | 15 | 0.7642 | 1 | -3 | 0.7642 | 1 | 0.004 | 5.234231876 | 1 | 15 | 2.51E-03 | 3.28E+00 | 1 | 7.06E-03 | 9.24E+00 | -26.5 | 5 | 84.9 | 4 | 248.85 | 1 | 0 | 0 | 0 | 74.55081253 | 7 | 2-methyl iso-alkane | |||||
21 | 2-methyltetradecane | C15H32 | 2.133333333 | 212.421 | 276.5 | 11 | 44.31 | 3 | 34.061097 | 15 | 0.7687 | 1 | -3 | 0.7798 | 1 | 0.0052 | 6.668376507 | 1 | 15 | 0.0031 | 4.03278262 | 1 | 9.52E-03 | 1.21E+01 | -8 | 8 | 97.1 | 4 | 265.21 | 1 | 0 | 0 | 0 | 78.4702402 | 7 | 2-methyl iso-alkane | |||||
22 | 2-methylpentadecane | C16H34 | 2.125 | 226.448 | 293 | 11 | 44.28 | 3 | 34.2833472 | 15 | 0.77424 | 1 | 0 | 0.7846 | 1 | 0.00611 | 7.787407596 | 1 | 15 | 0.00391 | 5.05011366 | 1 | 1.20E-02 | 1.51E+01 | -7 | 8 | 107 | 4 | 285.15 | 1 | 0 | 0 | 0 | 82.2805817 | 7 | 2-methyl iso-alkane | |||||
23 | 2-methylhexadecane | C17H36 | 2.117647059 | 240.475 | 309.5 | 11 | 44.25 | 3 | 34.47075 | 15 | 0.779 | 1 | 20 | 0.7755 | 1 | 0.0042 | 5.415860735 | 1 | 30 | 0.7687 | 0.0032 | 4.162872382 | 1 | 1.02E-02 | 1.29E+01 | 4 | 8 | 115 | 4 | 296.67 | 1 | 0 | 0 | 0 | 85.99362132 | 7 | 2-methyl iso-alkane | ||||
24 | 2-methylheptadecane | C18H38 | 2.111111111 | 254.502 | 326 | 11 | 44.23 | 3 | 34.640936 | 15 | 0.7832 | 1 | 20 | 0.7797 | 1 | 0.0051 | 6.540977299 | 1 | 30 | 0.77284 | 0.0039 | 5.046322654 | 1 | 1.23E-02 | 1.55E+01 | 6 | 8 | 126 | 4 | 311.15 | 1 | 0 | 0 | 0 | 89.61906783 | 7 | 2-methyl iso-alkane | ||||
25 | methylcyclohexane | C7H14 | 2 | 98.189 | 126.9 | 24 | 43.71 | 3 | 33.8166786 | 15 | 0.77366 | 1 | -20 | 0.8036 | 1 | 0.001379 | 1.716027875 | 1 | 15 | 0.0007799 | 1.008065559 | 1 | 1.72E-03 | 2.12E+00 | -126.57 | 5 | 4.93 | 4 | 100.86 | 1 | 0 | 0 | 0 | 22.475 | 6 | alkyl-cycloalkane | |||||
26 | ethylcyclohexane | C8H16 | 2 | 112.216 | 141.8 | 24 | 43.76 | 3 | 34.6679848 | 15 | 0.79223 | 1 | 0 | 0.80411 | 1 | 0.001174 | 1.459999254 | 1 | 15 | 8.96E-04 | 1.13E+00 | 1 | 1.92E-03 | 2.34E+00 | -111.311 | 5 | 24.4 | 4 | 131.75 | 1 | 0 | 0 | 0 | 35.8 | 6 | alkyl-cycloalkane | |||||
27 | propylcyclohexane | C9H18 | 2 | 126.243 | 158.3 | 24 | 15 | 0.7977 | 1 | -20 | 0.8253 | 1 | 0.001902 | 2.304616503 | 1 | 15 | 1.06E-03 | 1.33E+00 | 1 | 2.38E-03 | 2.86E+00 | -94.9 | 5 | 40.2 | 4 | 156.71 | 1 | 0 | 0 | 0 | 28.152 | alkyl-cycloalkane | |||||||||
28 | butylcyclohexane | C10H20 | 2 | 140.27 | 174.8 | 24 | 43.77 | 3 | 35.1420576 | 15 | 0.80288 | 1 | 20 | 0.79919 | 1 | 0.0013 | 1.62664698 | 1 | 30 | 7.92E-01 | 1.09E-03 | 1.38E+00 | 1 | 2.56E-03 | 3.13E+00 | -74.73 | 5 | 46.7 | 4 | 180.95 | 1 | 0 | 0 | 0 | 47.8 | 6 | alkyl-cycloalkane | ||||
29 | cis-1,2-Dimethylcyclooctane | C10H20 | 2 | 140.2658 | 181.9 | 11 | 43.95 | 3 | 35.99505 | 15 | 0.819 | 1 | -3 | 0.832 | 1 | 0.009 | 10.81730769 | 1 | 15 | 0.006 | 7.326007326 | 1 | 1.52E-02 | 1.80E+01 | -43.97 | 11 | 44.6 | 4 | 181.95 | 1 | 0 | 0 | 0 | 28.152 | alkyl-cycloalkane | ||||||
30 | pentylcyclohexane | C11H22 | 2 | 154.297 | 191.2 | 24 | 43.75 | 3 | 35.2625 | 15 | 0.806 | 1 | -3 | 0.8183 | 1 | 0.0027 | 3.299523402 | 1 | 15 | 1.90E-03 | 2.36E+00 | 1 | 4.34E-03 | 5.24E+00 | -57.5 | 5 | 68.4 | 4 | 203.51 | 1 | 0 | 0 | 0 | 28.152 | alkyl-cycloalkane | ||||||
31 | hexylcyclohexane | C12H24 | 2 | 168.324 | 207.6 | 24 | 43.75 | 3 | 35.48125 | 15 | 0.811 | 1 | -3 | 0.8229 | 1 | 0.0045 | 5.468465184 | 1 | 15 | 0.0029 | 3.575832306 | 1 | 7.79E-03 | 9.36E+00 | -43 | 8 | 82.7 | 4 | 224.84 | 1 | 0 | 0 | 0 | 28.152 | alkyl-cycloalkane | ||||||
32 | heptylcyclohexane | C13H26 | 2 | 182.351 | 225 | 24 | 43.71 | 3 | 35.62365 | 15 | 0.815 | 1 | -3 | 0.828 | 1 | 0.0054 | 6.52173913 | 1 | 15 | 0.00317 | 3.889570552 | 1 | 9.98E-03 | 1.19E+01 | -31 | 8 | 93.5 | 4 | 244.81 | 1 | 0 | 0 | 0 | 28.152 | alkyl-cycloalkane | ||||||
33 | octylcyclohexane | C14H28 | 2 | 196.378 | 240.4 | 24 | 43.76 | 3 | 35.775988 | 15 | 0.81755 | 1 | 0 | 0.8281 | 1 | 0.00631 | 7.619852675 | 1 | 15 | 0.00402 | 4.917130451 | 1 | 1.24E-02 | 1.48E+01 | -20 | 8 | 104 | 4 | 263.54 | 1 | 0 | 0 | 0 | 28.152 | alkyl-cycloalkane | ||||||
34 | nonylcyclohexane | C15H30 | 2 | 210.405 | 256.8 | 24 | 43.77 | 3 | 35.900154 | 15 | 0.8202 | 1 | -3 | 0.8312 | 1 | 0.0089 | 10.70741097 | 1 | 15 | 0.0057 | 6.949524506 | 1 | 1.55E-02 | 1.84E+01 | -10 | 8 | 116 | 4 | 281.19 | 1 | 0 | 0 | 0 | 28.152 | alkyl-cycloalkane | ||||||
35 | decylcyclohexane | C16H32 | 2 | 224.432 | 273.2 | 24 | 43.78 | 3 | 35.98716 | 15 | 0.822 | 1 | 0 | 0.8322 | 1 | 0.01025 | 12.31675078 | 1 | 15 | 0.00618 | 7.518248175 | 1 | 2.11E-02 | 2.51E+01 | -1.73 | 5 | 124 | 4 | 297.75 | 1 | 0 | 0 | 0 | 28.152 | alkyl-cycloalkane | ||||||
36 | undecylcyclohexane | C17H34 | 2 | 238.459 | 289.5 | 24 | 20 | 0.823 | 1 | 20 | 0.823 | 1 | 0.0063 | 7.654921021 | 1 | 30 | 0.817 | 0.005 | 6.11995104 | 1 | 1.41E-02 | 1.69E+01 | -14.4 | 4 | 134 | 4 | 298.25 | 1 | 0 | 0 | 0 | 28.152 | alkyl-cycloalkane | ||||||||
37 | cis-decalin | cis-decahydronaphthalene | C10H18 | 1.8 | 138.254 | 153.5 | 24 | 42.98 | 3 | 38.7009112 | 15 | 0.90044 | 1 | -20 | 0.9276 | 1 | 0.0105 | 11.31953428 | 1 | 15 | 3.76E-03 | 4.17E+00 | 1 | 1.44E-02 | 1.54E+01 | -42.95 | 5 | 58 | 10 | 195.82 | 1 | 0 | 1 | 0 | 28.152 | dicycloalkane | |||||
38 | trans-decalin | trans-decahydronaphthalene | C10H18 | 1.8 | 138.254 | 158.1 | 24 | 42.89 | 3 | 37.4618416 | 15 | 0.87344 | 1 | -20 | 0.90024 | 1 | 0.00536 | 5.953967831 | 1 | 15 | 2.33E-03 | 2.66E+00 | 1 | 7.09E-03 | 7.83E+00 | -30.36 | 5 | 58 | 10 | 187.26 | 1 | 0 | 1 | 0 | 28.152 | dicycloalkane | |||||
39 | 1-methyldecalin | C11H20 | 1.818181818 | 152.281 | 150.2 | 24, cis | 15 | 0.8885 | 1 | -3 | 0.9014 | 1 | 0.005 | 5.546927002 | 1 | 15 | 0.0032 | 3.601575689 | 1 | 8.70E-03 | 9.55E+00 | -39.2 | 64.1 | 11 | 205.05 | 1 | 0 | 1 | 0 | 28.152 | alkyl-dicycloalkane | ||||||||||
40 | bicyclohexyl | C12H22 | 1.833333333 | 166.308 | 187 | 24 | 43.1 | 3 | 38.36331 | 15 | 0.8901 | 1 | 5 | 0.8973 | 1 | 0.006 | 6.686726847 | 1 | 15 | 4.54E-03 | 5.10E+00 | 1 | 1.26E-02 | 1.38E+01 | 3.63 | 5 | 86.4 | 4 | 237.77 | 1 | 0 | 0 | 0 | 50 | 6 | dicycloalkane | |||||
41 | 1-propyldecahydro-naphthalene | C13H24 | 1.846153846 | 180.32966 | 0.8075 | 8.152 | #DIV/0! | #DIV/0! | -39.2 | 90.6 | 12 | 175.7 | 0 | 1 | 0 | 28.152 | alkyl-dicycloalkane | ||||||||||||||||||||||||
42 | 1-sec-butyldecahydronaphthalene | 1-Butyldecahydronaphthalene | C14H26 | 1.857142857 | 194.362 | 229 | 11 | 43.21 | 3 | 39.58036 | 15 | 0.916 | 1 | -20 | 0.94 | 1 | 0.029 | 30.85106383 | 1 | 15 | 0.0052 | 5.676855895 | 1 | 4.26E-02 | 4.52E+01 | 12.29 | 11 | 102.8 | 11 | 256.85 | 1 | 0 | 1 | 0 | 28.152 | alkyl-dicycloalkane | |||||
43 | 1-pentyldecahydro-naphthalene | C15H28 | 1.866666667 | 208.38282 | 0.8075 | 8.152 | #DIV/0! | #DIV/0! | -39.2 | 35.7504 | 175.7 | 0 | 1 | 0 | 28.152 | alkyl-dicycloalkane | |||||||||||||||||||||||||
44 | benzene | C6H6 | 1 | 78.114 | 88.6 | 24 | 40.57 | 3 | 36.2103478 | 15 | 0.88407 | 1 | 7 | 0.89254 | 1 | 0.000789 | 0.8839939947 | 1 | 15 | 6.99E-04 | 7.91E-01 | 1 | 1.32E-03 | 1.43E+00 | 5.53 | 5 | -3.99 | 4 | 80.066 | 1 | 1 | 0 | 0 | 14.3 | 6 | aromatic | |||||
45 | toluene | C7H8 | 1.142857143 | 92.141 | 105.5 | 24 | 40.93 | 3 | 35.6688578 | 15 | 0.87146 | 1 | -20 | 0.90383 | 1 | 0.00106 | 1.172786918 | 1 | 15 | 6.25E-04 | 7.17E-01 | 1 | 1.31E-03 | 1.43E+00 | -94.97 | 5 | 16.4 | 4 | 110.6 | 1 | 1 | 0 | 0 | 6 | 6 | alkyl-aromatic | |||||
46 | ethylbenzene | C8H10 | 1.25 | 106.168 | 121.5 | 24 | 41.31 | 3 | 36.0202545 | 15 | 0.87195 | 1 | -20 | 0.90182 | 1 | 0.001275 | 1.413807633 | 1 | 15 | 7.12E-04 | 8.17E-01 | 1 | 1.60E-03 | 1.75E+00 | -94.95 | 5 | 29.5 | 4 | 136.17 | 1 | 1 | 0 | 0 | 6.3 | 6 | alkyl-aromatic | |||||
47 | m-xylene | 1,3-Dimethylbenzene | C8H10 | 1.25 | 106.168 | 122.2 | 24 | 41.2 | 3 | 35.772312 | 15 | 0.86826 | 1 | 0 | 0.88107 | 1 | 0.000804 | 0.912526814 | 1 | 15 | 6.61E-04 | 7.61E-01 | 1 | 1.19E-03 | 1.32E+00 | -47.85 | 5 | 30.9 | 4 | 139.077 | 1 | 1 | 0 | 0 | 28.152 | alkyl-aromatic | |||||
48 | p-xylene | 1,4-Dimethylbenzene | C8H10 | 1.25 | 106.168 | 122.60 | 24 | 41.21 | 3 | 35.6561283 | 15 | 0.86523 | 1 | 15 | 0.86523 | 1 | 0.000689 | 0.7963200536 | 1 | 30 | 8.52E-01 | 5.71E-04 | 6.70E-01 | 1 | 1.12E-03 | 1.26E+00 | 13.26 | 5 | 32.5 | 4 | 138.317 | 1 | 1 | 0 | 0 | 28.152 | alkyl-aromatic | ||||
49 | propylbenzene | C9H12 | 1.333333333 | 120.195 | 138.6 | 24 | 41.6 | 3 | 36.028512 | 15 | 0.86607 | 1 | -20 | 0.89515 | 1 | 0.00176 | 1.966150924 | 1 | 15 | 9.17E-04 | 1.06E+00 | 1 | 2.24E-03 | 2.48E+00 | -99.6 | 5 | 50.6 | 4 | 159.195 | 1 | 1 | 0 | 0 | 28.152 | alkyl-aromatic | ||||||
50 | 1,2,3-trimethylbenzene | C9H12 | 1.333333333 | 120.195 | 133.9 | 24 | 41.47 | 3 | 37.2508422 | 15 | 0.89826 | 1 | -3 | 0.9122 | 1 | 0.004 | 4.385003289 | 1 | 15 | 2.50E-03 | 2.78E+00 | 1 | 7.08E-03 | 7.68E+00 | -25.36 | 5 | 51 | 4 | 176.08 | 1 | 1 | 0 | 0 | 10.1 | 6 | alkyl-aromatic | |||||
51 | 1,2,4-trimethylbenzene | C9H12 | 1.333333333 | 120.195 | 136.6 | 24 | 41.43 | 3 | 36.4521855 | 15 | 0.87985 | 1 | -3 | 0.8944 | 1 | 0.0036 | 4.025044723 | 1 | 15 | 2.20E-03 | 2.50E+00 | 1 | 6.48E-03 | 7.16E+00 | -43.82 | 5 | 51.6 | 4 | 169.37 | 1 | 1 | 0 | 0 | 8.9 | 6 | alkyl-aromatic | |||||
52 | 1,3,5-trimethylbenzene | C9H12 | 1.333333333 | 120.195 | 138.3 | 24 | 41.41 | 3 | 35.9873605 | 15 | 0.86905 | 1 | 5 | 0.87678 | 1 | 0.000839 | 0.9569105135 | 1 | 15 | 7.34E-04 | 8.45E-01 | 1 | 1.31E-03 | 1.46E+00 | -44.7 | 8 | 45.1 | 4 | 164.76 | 1 | 1 | 0 | 0 | 8 | 6 | alkyl-aromatic | |||||
53 | 1,2,3,5-tetramethylbenzene | C10H14 | 1.4 | 134.222 | 150.2 | 24 | 41.61 | 3 | 37.2022527 | 15 | 0.89407 | 1 | -3 | 0.9075 | 1 | 0.006 | 6.611570248 | 1 | 15 | 3.60E-03 | 4.03E+00 | 1 | 1.09E-02 | 1.19E+01 | -24 | 8 | 66.2 | 4 | 198.15 | 1 | 1 | 0 | 0 | 28.152 | alkyl-aromatic | ||||||
54 | butylbenzene | C10H14 | 1.4 | 134.222 | 155.1 | 24 | 41.83 | 3 | 36.1461396 | 15 | 0.86412 | 1 | 5 | 0.87207 | 1 | 0.00133 | 1.525106929 | 1 | 15 | 0.001112 | 1.286858307 | 1 | 2.31E-03 | 2.60E+00 | -87.85 | 5 | 61.8 | 4 | 183.276 | 1 | 1 | 0 | 0 | 12.45 | 6 | alkyl-aromatic | |||||
55 | pentylbenzene | C11H16 | 1.454545455 | 148.249 | 172 | 24 | 42.03 | 3 | 36.2752524 | 15 | 0.86308 | 1 | 10 | 0.86676 | 1 | 0.001599 | 1.844801329 | 1 | 30 | 0.85201 | 0.001124 | 1.319233342 | 1 | 2.79E-03 | 3.16E+00 | -75 | 5 | 71.5 | 4 | 202.85 | 1 | 1 | 0 | 0 | 28.152 | alkyl-aromatic | |||||
56 | hexylbenzene | C12H18 | 1.5 | 162.276 | 188.4 | 24 | 42.18 | 3 | 36.3945912 | 15 | 0.86284 | 1 | 10 | 0.8664 | 1 | 0.001998 | 2.306094183 | 1 | 30 | 0.85207 | 0.001368 | 1.605501895 | 1 | 3.57E-03 | 4.06E+00 | -61.15 | 5 | 86.5 | 4 | 225.75 | 1 | 1 | 0 | 0 | 28.152 | alkyl-aromatic | |||||
57 | heptylbenzene | C13H20 | 1.538461538 | 176.303 | 205 | 24 | 42.31 | 3 | 36.47122 | 15 | 0.862 | 1 | 10 | 0.8658 | 1 | 0.002562 | 2.959112959 | 1 | 30 | 0.85058 | 0.001709 | 2.00921724 | 1 | 4.69E-03 | 5.33E+00 | -48 | 5 | 96.9 | 4 | 242.25 | 1 | 1 | 0 | 0 | 28.152 | alkyl-aromatic | |||||
58 | octylbenzene | C14H22 | 1.571428571 | 190.33 | 221.5 | 24 | 42.43 | 3 | 36.5169552 | 15 | 0.86064 | 1 | 0 | 0.8717 | 1 | 0.00427 | 4.898474246 | 1 | 15 | 0.002842 | 3.302193716 | 1 | 8.08E-03 | 9.16E+00 | -36 | 5 | 108 | 4 | 263.35 | 1 | 1 | 0 | 0 | 28.152 | alkyl-aromatic | ||||||
59 | nonylbenzene | C15H24 | 1.6 | 204.357 | 237.9 | 24 | 42.52 | 3 | 36.643736 | 15 | 0.8618 | 1 | -3 | 0.8752 | 1 | 0.0053 | 6.055758684 | 1 | 15 | 0.0033 | 3.829194709 | 1 | 9.41E-03 | 1.06E+01 | -24.15 | 5 | 115 | 4 | 279.85 | 1 | 1 | 0 | 0 | 28.152 | alkyl-aromatic | ||||||
60 | Naphthalene | C10H8 | 0.8 | 128.174 | 124.6 | 24 | 39.41 | 3 | 40.4941691 | 15 | 1.02751 | 5 | 85 | 0.97435 | 1 | 0.000887 | 0.9103504901 | 1 | 100 | 0.96235 | 0.000733 | 0.7616771445 | 1 | 80.284 | 5 | 82.9 | 4 | 217.987 | 1 | 1 | 0 | 1 | 1 | 23 | di-aromatic | ||||||
61 | 1-methyl Naphthalene | C11H10 | 0.9090909091 | 142.201 | 138.9 | 24 | 39.75 | 3 | 40.71195 | 15 | 1.0242 | 1 | 0 | 1.0364 | 1 | 0.00611 | 5.895407179 | 1 | 15 | 1.0242 | 0.00379 | 3.700449131 | 1 | -30.48 | 5 | 91.4 | 4 | 244.63 | 1 | 1 | 0 | 1 | 0 | 6 | di-aromatic | ||||||
62 | JP-10 | Exo-Tricyclo[5.2.1.0(2,6)]decane | C10H16 | 1.6 | 136.23404 | 42.58490365 | 2 | 40 | 15 | 0.9393 | 1 | -20 | 8.81 | 16 | 20 | 0.93537 | 0.003063 | 3.274639982 | 1 | -1.53E-03 | 1.16E+01 | -79 | 16 | 54 | 2 | 185.07 | 1 | 0 | 0 | 0 | 20.4 | 6 | Strained Molecule | ||||||||
63 | RJ-4 | m,n-Dimethyltricyclo[5.2.1.0(2,6)]decane | C12H20 | 1.666666667 | 164.2872 | 42.44680851 | 2 | 39.9 | 15.6 | 0.94 | 2 | -10 | 0.0108 | 11.4893617 | 15 | 4.32E-02 | 4.60E+01 | -40.15 | 2 | 72.45 | 2 | 220.85 | 2 | 0 | 0 | 0 | 23.5 | 14 | Strained Molecule | ||||||||||||
64 | RJ-5 | Perhydrodi(norbornadiene) | C14H18 | 1.285714286 | 186.29272 | 41.66666667 | 2 | 45 | 15.6? | 1.08 | 2 | -10 | 0.0972 | 90 | 15 | 3.89E-01 | 3.60E+02 | 54.85 | 2 | 110 | 2 | 252.85 | 2 | 0 | 0 | 0 | 28.152 | Strained Molecule | |||||||||||||
65 | Quadricyclane | Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane | C7H8 | 1.142857143 | 92.13842 | 43.67346939 | 2 | 42.8 | ? | 0.98 | 2 | 7 | 2.3055 | 17 | 0.00E+00 | -1.32E+01 | -44.15 | 2 | 11 | 2 | 109.7 | 1 | 0 | 0 | 0 | 28.152 | Strained Molecule | ||||||||||||||
66 | Dihydrobenzvalene | Tricyclo[3.1.0.0(2,6)]hexane | C6H8 | 1.333333333 | 80.12772 | 43.8372093 | 2 | 37.7 | 15.6 | 0.86 | 2 | 8.152 | #DIV/0! | #DIV/0! | -71.15 | 2 | -21 | 2 | 65.85 | 2 | 0 | 0 | 0 | 28.152 | Strained Molecule | ||||||||||||||||
67 | Nortricyclene | Tricyclo[2.2.1.0(2,6)]heptane | C7H10 | 1.428571429 | 94.1543 | 42.38636364 | 2 | 37.3 | -52.15 | 0.88 | 2 | 93.42 | 0.0005731 | 0.65125 | 9 | -2.45E-04 | -2.79E-01 | -52.15 | 2 | 1 | 2 | 101.85 | 2 | 0 | 0 | 0 | 28.152 | Strained Molecule | |||||||||||||
68 | 1,3 Dimethyladamantane | 1,3-dimethyltricyclo[3.3.1.1(3,7)]decane | C12H20 | 1.666666667 | 164.2872 | 45.95629646 | 2 | 40.8 | 15 | 0.8878 | 1 | -3 | 0.8923 | 1 | 0.0066 | 7.396615488 | 1 | 15 | 0.0039 | 4.39288128 | 1 | 1.22E-02 | 1.36E+01 | 6.85 | 2 | 58 | 2 | 203.306 | 1 | 0 | 0 | 0 | 28.152 | Strained Molecule | |||||||
69 | 1,3,5 trimethyladamantane | 1,3,5-trimethyl-tricyclo[3.3.1.1(3,7)]decane | C13H22 | 1.692307692 | 178.31378 | 37.83541035 | 2 | 33.7 | 15 | 0.8907 | 1 | -3 | 0.9037 | 1 | 0.0075 | 8.299214341 | 1 | 15 | 0.0044 | 4.939934883 | 1 | 1.39E-02 | 1.52E+01 | -19.55 | 2 | 70 | 2 | 210.176 | 1 | 0 | 0 | 0 | 28.152 | Strained Molecule | |||||||
70 | Tetrahedrane | Tricyclo[1.1.0.0(2,4)]butane | C4H4 | 1 | 52.07456 | 2 | 15 | -20 | 7.30E-01 | 5 | 2.99E-04 | 4.09E-01 | 5 | 15 | 6.89E-01 | 2.17E-04 | 3.15E-01 | 5 | #REF! | -1.80E-01 | -122.15 | 2 | -33.15 | 2 | 0 | 0 | 0 | 28.152 | Strained Molecule | ||||||||||||
71 | Cubane | pentacyclo[4.2.0.02,5.03,8.04,7]octane | C8H8 | 1 | 104.14912 | 45.32 | 3 | 53.0244 | 15.6 | 1.17 | 2 | 0.0013216 | 1.12957265 | 9, Joback method, temp=99.09 C | 15 | 9.09E-01 | 8.12E-04 | 8.94E-01 | 5 | #REF! | 1.76E+00 | -20.15 | 2 | 18 | 2 | 132.85 | 2 | 0 | 0 | 0 | 28.152 | Strained Molecule | |||||||||
72 | Adamantane | tricyclo[3.3.1.1(3,7)]decane | C10H16 | 1.6 | 136.23404 | 44.28627175 | 3 | 51.50493405 | 15 | 1.163 | 19 | 277 | 18 | 0.00013 | 0.1117798796 | 1 | 1.04E+00 | -1.61E-02 | 268 | 8 | 54.1 | 4 | 178 | 4 | 0 | 0 | 0 | 28.152 | Strained Molecule | ||||||||||||
73 | trispiro[2.0.2.0.2.0]nonane | C9H12 | 1.333333333 | 120.19158 | 45.26 | 3 | 49.92178 | 25 | 1.103 | 19 | 8.152 | #DIV/0! | #DIV/0! | 10.85 | 19 | 47.9 | 4 | 147.35 | 19 | 0 | 0 | 0 | 28.152 | Strained Molecule | |||||||||||||||||
74 | trispiro[2.0.0.2.1.1]nonane | C9H12 | 1.333333333 | 120.19158 | 45.22 | 3 | 43.8634 | 25 | 0.97 | 19 | -3 | 0.885 | 1 | 0.001 | 1.129943503 | 1 | 25 | 0.00061 | 0.6288659794 | 1 | 1.52E-03 | 1.79E+00 | 10.85 | 19 | 45.6 | 4 | 121.85 | 1 | 0 | 0 | 0 | 28.152 | Strained Molecule | ||||||||
75 | tetraspiro[2.0.0.0.2.1.1.1]undecane | C11H14 | 1.272727273 | 146.22886 | 45.04 | 3 | 41.25664 | 20 | 0.916 | 1 | 8.152 | #DIV/0! | #DIV/0! | 33.45 | 19 | 72.8 | 11 | 197.05 | 19 | 0 | 0 | 0 | 28.152 | Strained Molecule | |||||||||||||||||
76 | Pentaprismane | hexacyclo[4.4.0.0(2,5).0(3,9).0(4,8).0(7,10)]decane | C10H10 | 1 | 130.1864 | 37.48148148 | 2 | 50.6 | 12.85 | 1.35 | 2 | 8.152 | #DIV/0! | #DIV/0! | 12.85 | 2 | 52 | 2 | 170.85 | 2 | 0 | 0 | 0 | 28.152 | Strained Molecule | ||||||||||||||||
77 | Pentacycloundecane | Pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]-undecane | C11H14 | 1.272727273 | 146.22886 | 33.70517928 | 2 | 42.3 | 15 | 1.255 | 1 | -3 | 1.273 | 1 | 0.0035 | 2.749410841 | 1 | 15 | 0.0023 | 1.832669323 | 1 | 5.97E-03 | 4.63E+00 | 68 | 2 | 19.85 | 2 | 208.85 | 1 | 0 | 0 | 0 | 28.152 | Strained Molecule | |||||||
78 | 1,1’-bi(tricyclo[1.1.0.02,4]butane) | Never Synthesized | C8H6 | 1.333333333 | 102.13324 | 46.50485437 | 2 | 47.9 | 15.6 | 1.03 | 2 | 8.152 | #DIV/0! | #DIV/0! | 19.85 | 2 | 3 | 2 | 98.85 | 2 | 0 | 0 | 0 | 28.152 | Strained Molecule | ||||||||||||||||
79 | Tricyclo[3.1.1.12,4]octane | Never Synthesized ? | C8H12 | 1.5 | 108.18088 | 42 | 2 | 39.9 | 15.6 | 0.95 | 2 | 8.152 | #DIV/0! | #DIV/0! | -34.15 | 2 | 21 | 2 | 133.85 | 2 | 0 | 0 | 0 | 28.152 | Strained Molecule | ||||||||||||||||
80 | C8H8 | Never Synthesized | C8H8 | 1 | 104.14912 | 41.36752137 | 2 | 48.4 | 15.6 | 1.17 | 2 | 8.152 | #DIV/0! | #DIV/0! | -20.15 | 2 | 18 | 2 | 120.85 | 2 | 0 | 0 | 0 | 28.152 | Strained Molecule | ||||||||||||||||
81 | C11H14 | Never Synthesized | C11H14 | 1.272727273 | 146.22886 | 37.5 | 2 | 37.5 | 15.6 | 1 | 2 | 8.152 | #DIV/0! | #DIV/0! | -20.15 | 2 | 45 | 2 | 163.85 | 2 | 0 | 0 | 0 | 28.152 | Strained Molecule | ||||||||||||||||
82 | C14H16 | Never Synthesized | C14H16 | 1.142857143 | 184.27684 | 35.39568345 | 2 | 49.2 | 58.85 | 1.39 | 2 | 8.152 | #DIV/0! | #DIV/0! | 58.85 | 2 | 105 | 2 | 248.85 | 2 | 0 | 0 | 0 | 28.152 | Strained Molecule | ||||||||||||||||
83 | 1-pentyladamantane | C15H26 | 1.733333333 | 206.367 | 42.61483915 | 13 | 38.99257782 | 20 | 0.915 | 13 | -20 | 0.1 | 109.2896175 | 13, "nearly 100 mPa-s" | 2.00E-01 | 2.19E+02 | -22 | 13 | 35.7504 | 175.7 | 0 | 0 | 0 | 48.5 | 13 | Strained Molecule | |||||||||||||||
84 | 2-butyladamantane | C14H24 | 1.714285714 | 192.35 | 42.6485825 | 13 | 39.57788456 | 20 | 0.928 | 13 | -20 | 0.1038 | 111.8534483 | 13 | 2.08E-01 | 2.24E+02 | -39.2 | No melting point observed for BA | 35.7504 | 175.7 | 0 | 0 | 0 | 49.1 | 13 | Strained Molecule | |||||||||||||||
85 | 2-propyladamantane | C13H22 | 1.692307692 | 178.32 | 42.03167398 | 13 | 39.21555182 | 20 | 0.933 | 13 | -20 | 0.068 | 72.88317256 | 13 | -3 | 0.0036 | 1 | 1.44E-01 | 1.59E+02 | -32 | 13 | 35.7504 | 175.7 | 0 | 0 | 0 | 48.6 | 13 | Strained Molecule | ||||||||||||
86 | 2-ethyladamantane | C12H20 | 1.666666667 | 164.29 | 42.09978125 | 13 | 40.16319131 | 20 | 0.954 | 13 | -20 | 0.055 | 57.65199161 | 13 | 1.10E-01 | 1.15E+02 | -24 | 13 | 35.7504 | 175.7 | 0 | 0 | 0 | 42.7 | 13 | Strained Molecule | |||||||||||||||
87 | pinane | bicyclo[3.1.1]heptane, 2,2,2-trimethyl | C10H18 | 1.8 | 138.2499 | 42.94 | 20 | 36.975634 | 15 | 0.8611 | 1 | -20 | 0.888 | 1 | 0.0085 | 9.60235 | 1 | -3 | 0.0022 | 2.554871676 | 1 | 1.59E-02 | 1.79E+01 | -53 | 8 | 36.6 | 4 | 167.25 | 1 | Strained Molecule | |||||||||||
88 | cis-carane | C10H18 | 1.8 | 138.2499 | 15 | 0.868 | 1 | -3 | 0.883 | 1 | 0.0022 | 2.491506229 | 1 | 15 | 0.00139 | 1.601382488 | 1 | 3.87E-03 | 4.32E+00 | ||||||||||||||||||||||
89 | sabinane | 4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexane | C10H18 | 1.8 | 138.2499 | 42.79 | 20 | 35.036452 | 15 | 0.8188 | 1 | -3 | 0.8321 | 1 | 0.0027 | 3.244802307 | 1 | 15 | 0.0017 | 2.076209086 | 1 | 4.76E-03 | 5.65E+00 | ||||||||||||||||||
90 | p-menthane | 1-isopropyl-4-methylcyclohexane (hydrogenation of limonene, terpinene, phellandrene, p-cymene) | C10H20 | 2 | 140.2658 | 43.3 | 1 | 34.80887 | 15 | 0.8039 | 1 | 20 | 0.8009 | 1 | 0.00103 | 1.28605319 | 1 | 30 | 0.7949 | 0.00093 | 1.169958485 | 1 | #REF! | 4.23E+00 | 146.09 | 1 | |||||||||||||||
91 | cedrane | C15H26 | 1.733 | 206.3669 | 42.7 | 21 | 39.4 | 15? | 0.923 | 21 | -20 | 33 | 21 | 0.00E+00 | 6.60E+01 | ||||||||||||||||||||||||||
92 | epi-isozizaene hydrogenated | C15H26 | 1.733 | 206.3669 | #DIV/0! | #DIV/0! | |||||||||||||||||||||||||||||||||||
93 | 2,6,dimethyloctane | hydrogenated linalool | C10H22 | 142.2817 | 44.2 | 1 | 32.05 | 15 | 0.7252 | 1 | 0 | 0.7439 | 1 | 0.0011 | #DIV/0! | #DIV/0! | |||||||||||||||||||||||||
94 | farnesane | 2,6,10-trimethyldodecane | C15H32 | 212.421 | 275.9 | 25 | 43.95 | 1 | 33.89 | 15 | 0.771 | 1 | -3 | 0.7901 | 1 | 0.0039 | |||||||||||||||||||||||||
95 | 2,6,10,14-tetramethylhexadecane | phytane | C20H42 | 282.556 | 43.84 | 1 | 34.53 | 15 | 0.788 | 1 | 0 | 0.8047 | 1 | 0.0078 | |||||||||||||||||||||||||||
96 | 2,6,10,14-tetramethylpentadecane | pristane | C19H40 | 268.521 | 43.84 | 1 | 34.24 | 15 | 0.781 | 1 | 0 | 0.7963 | 1 | 0.0135 | |||||||||||||||||||||||||||
97 | 2,6,10,15,19,23-hexamethyltetracosane | squalane | C30H62 | 422.826 | 43.63 | 1 | 35.17 | 15 | 0.8062 | 1 | 0 | 0.8244 | 1 | 0.1165 | |||||||||||||||||||||||||||
98 | 1-(1,5-dimethylhexyl)-4-methylcyclohexane | bisabolane | C15H30 | 210.405 | 43.33 | 1 | 35.64 | 15 | 0.8225 | 1 | -3 | 0.8411 | 1 | 0.0075 | |||||||||||||||||||||||||||
99 | |||||||||||||||||||||||||||||||||||||||||
100 |