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:28
Name:n-butyl acetate
Description:
Labels:
CAS:123-86-4
InChi Code:InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3

Properties

logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa

ValueSource or prediction
3.279

experimental value

3.3

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

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