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:47
Name:Hexachlorocyclopentadiene
Description:
Labels:training, Halogenated_cyclic_compounds
CAS:77-47-4
InChi Code:InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.2

experimental value

4.05

Eq1: Linear correlation with logP (Training set)

4.07

Eq2: Non-linear regression model (Training set)

4.07

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

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