No | Alkane | nm | nH | Eorb (kJ/mol) | −log10S | ||
Exp. | Calc. | LOOCV | |||||
1 | Methane | 1 | 4 | 309.63 | 0.90 | 0.89 | 0.89 |
2 | Ethane | 2 | 6 | 275.17 | 1.36 | 1.40 | 1.42 |
3 | Propane | 3 | 8 | 252.37 | 1.94 | 1.94 | 1.94 |
4 | n-Butane | 4 | 10 | 249.27 | 2.57 | 2.53 | 2.52 |
5 | n-Pentane | 5 | 12 | 246.01 | 3.18 | 3.15 | 3.15 |
6 | n-Hexane | 6 | 14 | 243.72 | 3.84 | 3.82 | 3.81 |
7 | n-Heptane | 7 | 16 | 241.63 | 4.53 | 4.52 | 4.52 |
8 | n-Octane | 8 | 18 | 240.06 | 5.24 | 5.26 | 5.27 |
9 | n-Nonane | 9 | 20 | 238.80 | 5.88 | 6.04 | 6.10 |
10 | n-Decane | 10 | 22 | 237.84 | 6.98 | 6.86 | 6.67 |