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:636
Name:4-Bromophenyl phenyl ether
Description:
Labels:validation, Other_compounds
CAS:101-55-3
InChi Code:InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.23

experimental value

3.58

Eq1: Linear correlation with logP (Validation set)

3.52

Eq2: Non-linear regression model (Validation set)

3.52

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

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