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:523
Name:Cumylphenyl diphenyl phosphate
Description:
Labels:training, Organic_phosphides
CAS:34364-42-6
InChi Code:InChI=1S/C27H25O4P/c1-27(24-16-8-3-9-17-24,22-23-14-6-2-7-15-23)31-32(28,29-25-18-10-4-11-19-25)30-26-20-12-5-13-21-26/h2-21H,22H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.68

experimental value

5.08

Eq1: Linear correlation with logP (Training set)

5.26

Eq2: Non-linear regression model (Training set)

5.26

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