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:618
Name:2,6-Dichlorobenzonitrile
Description:
Labels:validation, Other_compounds
CAS:1194-65-6
InChi Code:InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.6

experimental value

2.45

Eq1: Linear correlation with logP (Validation set)

2.36

Eq2: Non-linear regression model (Validation set)

2.36

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

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