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:536
Name:Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate
Description:
Labels:training, Organic_phosphides
CAS:300-76-5
InChi Code:InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.26

experimental value

1.99

Eq1: Linear correlation with logP (Training set)

1.98

Eq2: Non-linear regression model (Training set)

1.98

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

Links to External Resources