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:501
Name:Ethion
Description:
Labels:training, Organic_phosphides
CAS:563-12-2
InChi Code:InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.06

experimental value

4.18

Eq1: Linear correlation with logP (Training set)

4.24

Eq2: Non-linear regression model (Training set)

4.24

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

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