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:61
Name:Benzene
Description:
Labels:training, Alkylbenzenes
CAS:71-43-2
InChi Code:InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.9

experimental value

2.14

Eq1: Linear correlation with logP (Training set)

2.10

Eq2: Non-linear regression model (Training set)

2.1

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

Links to External Resources