10967/190 - QDB Compounds

QsarDB Repository

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

ValueSource or prediction
4.079

experimental value

3.832

Eq.5: Model for volatile organic compounds (Training set)