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:598
Name:Chloranil
Description:
Labels:validation, Other_compounds
CAS:118-75-2
InChi Code:InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.32

experimental value

1.94

Eq1: Linear correlation with logP (Validation set)

1.94

Eq2: Non-linear regression model (Validation set)

1.94

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

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