Table 3.
Difference between experimental and predicted Log P (ΔLog P) using ISET and the different methods studied (Ghose/Crippen, AlogP, MlogP, ClogP) for external group of alcohols.
| No. | Compounds | Log Pexp | ISET | ΔISET Log P |
ΔGhose/Crippen Log P |
ΔAlogP | ΔClogP | ΔMlogP |
|---|---|---|---|---|---|---|---|---|
| 01 | 1-Undecanol | 4.42 | 12.3394 | −0.22 | 0.7 | 0.26 | −0.18 | 0.32 |
| 02 | 2-Undecanol | 4.42 | 11.7816 | 0.14 | 0.6 | 0.33 | −0.12 | 0.32 |
| 03 | 4-Octanol | 2.68 | 9.2504 | 0.02 | 0.06 | −0.1 | −0.47 | 0.41 |
| 04 | 2-Methyl-1-butanol | 1.14 | 7.2774 | −0.26 | −0.2 | −0.15 | −0.55 | −0.07 |
| 05 | 2-Methyl-3-hexanol | 2.19 | 8.2667 | 0.16 | −0.04 | 0 | −0.37 | 0.25 |
| 06 | 2.3-Dimethyl-3-pentanol | 1.67 | 7.78 | −0.05 | −0.24 | −0.27 | −0.58 | −0.27 |
| 07 | 4.4-Dimethyl-1-pentanol | 2.39 | 8.6815 | 0.09 | 0.29 | 0.51 | −0.28 | 0.45 |