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:520
Name:Temephos
Description:
Labels:training, Organic_phosphides
CAS:3383-96-8
InChi Code:InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5

experimental value

4.45

Eq1: Linear correlation with logP (Training set)

4.56

Eq2: Non-linear regression model (Training set)

4.56

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

Links to External Resources