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:629
Name:Anisole/Methoxybenzene
Description:
Labels:validation, Other_compounds
CAS:100-66-3
InChi Code:InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.54

experimental value

2.12

Eq1: Linear correlation with logP (Validation set)

2.08

Eq2: Non-linear regression model (Validation set)

2.08

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