10967/159 - QDB Compounds

QsarDB Repository

Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.

Compound

ID:239
Name:2,4,4'-Trichlorobiphenyl
Description:
Labels:training, Biphenyls
CAS:7012-37-5
InChi Code:InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.63

experimental value

4.42

Eq1: Linear correlation with logP (Training set)

4.53

Eq2: Non-linear regression model (Training set)

4.53

Eq3: Non-linear regression model with correction factors (Training set)

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