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:676
Name:2,4-dp butoxyethyl ester
Description:
Labels:validation, Other_compounds
CAS:53404-31-2
InChi Code:InChI=1S/C15H20Cl2O4/c1-3-4-7-19-8-9-20-15(18)11(2)21-14-6-5-12(16)10-13(14)17/h5-6,10-11H,3-4,7-9H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3

experimental value

3.59

Eq1: Linear correlation with logP (Validation set)

3.53

Eq2: Non-linear regression model (Validation set)

3.53

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