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:30
Name:n-propyl acetate
Description:
Labels:
CAS:109-60-4
InChi Code:InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3

Properties

logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa

ValueSource or prediction
2.851

experimental value

3.04

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

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