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:1
Name:1,1,1-trichloroethane
Description:
Labels:
CAS:71-55-6
InChi Code:InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3

Properties

logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa

ValueSource or prediction
2.58

experimental value

2.639

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

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