Table 1.
Solute Activity Coefficients and Octanol/Water Partition Coefficients at 25.0°C.
| Solute | (GLC) | (Generator column/HPLC or GC) | Log Ko/w |
|
|---|---|---|---|---|
| Calculateda | Experimental | |||
| n-Pentane | 0.555 | 4.19 | 3.63 (3.68) | 3.62 |
| n-Hexane | .530 | 4.73 | 4.20 (4.22) | 4.11 |
| n-Heptane | .517 | 5.28 | 4.76 (4.77) | 4.66 |
| n-Octane | .512 | 5.80 | 5.29 (5.29) | 5.18 |
| 1-Hexene | .504 | 3.98 | 3.48 (3.47) | 3.39 |
| 1-Heptene | .491 | 4.58 | 4.09 (3.07) | 3.99 |
| 1-Octene | .479 | 5.24 | 4.76 (4.73) | 4.57 |
| 1-Nonene | .470 | 5.81 | 5.34(5.30) | 5.15 |
| Toluene | .509 | 3.17 | 2.66 (2.66) | 2.65 |
| Ethylbenzene | .505 | 3.66 | 3.15(3.15) | 3.13 |
| n-Propylbenzene | .494 | 4.22 | 3.73 (3.71) | 3.69 |
| Ethylacelate | .621 | 1.15 | 0.53 (0.64) | 0.68 |
| n-Propylacelate | .534 | 1.64 | 1.11(1.13) | 1.24 |
| n-Butylacetate | .425 | 2.15 | 1.73 (1.64) | 1.82 |
Values in parentheses were calculated using the hydrophobicity equation (eq 17).