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:78
Name:Chlorobenzene
Description:
Labels:training, Halogenated_benzenes
CAS:108-90-7
InChi Code:InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.4

experimental value

2.53

Eq1: Linear correlation with logP (Training set)

2.43

Eq2: Non-linear regression model (Training set)

2.43

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

Links to External Resources