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:234
Name:3-Chlorobiphenyl
Description:
Labels:training, Biphenyls
CAS:2051-61-8
InChi Code:InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.4

experimental value

3.66

Eq1: Linear correlation with logP (Training set)

3.61

Eq2: Non-linear regression model (Training set)

3.61

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

Links to External Resources