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:235
Name:2,2'-Dichlorobiphenyl
Description:
Labels:training, Biphenyls
CAS:13029-08-8
InChi Code:InChI=1S/C12H8Cl2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.92

experimental value

3.93

Eq1: Linear correlation with logP (Training set)

3.94

Eq2: Non-linear regression model (Training set)

3.94

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

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