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:605
Name:Bis(2-chloroisopropyl)ether
Description:
Labels:validation, Other_compounds
CAS:108-60-1
InChi Code:InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.67

experimental value

2.19

Eq1: Linear correlation with logP (Validation set)

2.14

Eq2: Non-linear regression model (Validation set)

2.14

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