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:242
Name:2,2',6,6'-Tetrachlorobiphenyl
Description:
Labels:training, Biphenyls
CAS:15968-05-5
InChi Code:InChI=1S/C12H6Cl4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.9

experimental value

4.37

Eq1: Linear correlation with logP (Training set)

4.47

Eq2: Non-linear regression model (Training set)

4.47

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

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