10967/190 - QDB Compounds

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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:22
Name:Dichloromethane
Description:
Labels:
CAS:75-09-2
InChi Code:InChI=1S/CH2Cl2/c2-1-3/h1H2

Properties

logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa

ValueSource or prediction
2.38

experimental value

2.26

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

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