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:699
Name:Chlorobenzilate
Description:
Labels:validation, Other_compounds
CAS:510-15-6
InChi Code:InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.3

experimental value

3.49

Eq1: Linear correlation with logP (Validation set)

3.42

Eq2: Non-linear regression model (Validation set)

3.42

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

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