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:253
Name:Octachloronaphthalene
Description:
Labels:training, Biphenyls
CAS:2234-13-1
InChi Code:InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5.89

experimental value

5.02

Eq1: Linear correlation with logP (Training set)

5.21

Eq2: Non-linear regression model (Training set)

5.21

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

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