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:12
Name:2-methyl-2-butanol
Description:
Labels:
CAS:75-85-4
InChi Code:InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3

Properties

logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa

ValueSource or prediction
3.362

experimental value

3.573

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

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