Table 1 Experimental values of the logarithm of the octanol–water partition coefficient and the corresponding values of different topological indices of octane isomers
Molecules | Log P | \(M_1(G)\) | F(G) | \(\bar{F}(G)\) |
|---|---|---|---|---|
Octane | 3.67 | 26 | 50 | 132 |
2-Methyl-heptane | 3.61 | 28 | 62 | 134 |
3-Methyl-heptane | 3.61 | 28 | 62 | 134 |
4-Methyl-heptane | 3.61 | 28 | 62 | 134 |
3-Ethyl-hexane | 3.61 | 28 | 62 | 134 |
2,2-Dimethyl-hexane | 3.65 | 32 | 92 | 132 |
2,3-Dimethyl-hexane | 3.54 | 30 | 74 | 136 |
2,4-Dimethyl-hexane | 3.54 | 30 | 74 | 136 |
2,5-Dimethyl-hexane | 3.54 | 30 | 74 | 136 |
3,3-Dimethyl-hexane | 3.65 | 32 | 92 | 132 |
3,4-Dimethyl-hexane | 3.54 | 30 | 74 | 136 |
2-Methyl-3-ethyl-pentane | 3.54 | 30 | 74 | 136 |
3-Methyl-3-ethyl-pentane | 3.65 | 32 | 92 | 132 |
2,2,3-Trimethyl-pentane | 3.58 | 34 | 104 | 134 |
2,2,4-Trimethyl-pentane | 3.58 | 34 | 104 | 134 |
2,3,3-Trimethyl-pentane | 3.58 | 34 | 104 | 134 |
2,3,4-Trimethyl-pentane | 3.48 | 32 | 86 | 138 |
2,2,3,3-Tetramethyl-butane | 3.62 | 38 | 134 | 132 |