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:24
Name:Ethyl acetate
Description:
Labels:
CAS:141-78-6
InChi Code:InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3

Properties

logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa

ValueSource or prediction
2.532

experimental value

2.779

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

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