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:535
Name:Stirofos
Description:
Labels:training, Organic_phosphides
CAS:961-11-5
InChi Code:InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.07

experimental value

3.58

Eq1: Linear correlation with logP (Training set)

3.52

Eq2: Non-linear regression model (Training set)

3.52

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