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:237
Name:4,4'-Dichlorobiphenyl
Description:
Labels:training, Biphenyls
CAS:2050-68-2
InChi Code:InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.3

experimental value

4.04

Eq1: Linear correlation with logP (Training set)

4.07

Eq2: Non-linear regression model (Training set)

4.07

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

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