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:35
Name:Trichloroethylene
Description:
Labels:
CAS:79-01-6
InChi Code:InChI=1S/C2HCl3/c3-1-2(4)5/h1H

Properties

logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa

ValueSource or prediction
2.881

experimental value

3.124

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

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