No | Alkane | kexp (kg∙mol−1∙s−1) | Eorb (kJ∙mol−1) | −log10k | ||
Exp. | Calc. | LOOCV | ||||
1 | Propane | 0.0196 | 873.56 | 1.71 | 1.64 | 1.53 |
2 | n-Butane | 0.052 | 863.34 | 1.28 | 1.39 | 1.46 |
3 | n-Pentane | 0.12 | 845.16 | 0.92 | 0.87 | 0.85 |
4 | n-Hexane | 0.18 | 841.27 | 0.74 | 0.73 | 0.73 |
5 | n-Heptane | 0.23 | 837.02 | 0.64 | 0.58 | 0.56 |
6 | n-Octane | 0.35 | 835.47 | 0.45 | 0.52 | 0.56 |