Zhang, C.; Feng, L.; Wei, J. Predicting partitioning of volatile organic compounds from air into plant cuticular matrix by quantum chemical descriptors. Chin. Sci. Bull. 2002, 47, 1270.
Compound
| ID: | 11 | |
|---|---|---|
| Name: | 2-hexanol | |
| Description: | ||
| Labels: | ||
| CAS: | 626-93-7 | |
| InChi Code: | InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3 |
Properties
logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa
| Value | Source or prediction |
|---|---|
| 4.079 |
experimental value |
| 3.832 |
Eq.5: Model for volatile organic compounds (Training set) |