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:525
Name:Chlorfenvinphos
Description:
Labels:training, Organic_phosphides
CAS:470-90-6
InChi Code:InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.47

experimental value

3.98

Eq1: Linear correlation with logP (Training set)

3.99

Eq2: Non-linear regression model (Training set)

3.99

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

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