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:371
Name:4-t-Butylphenylcarbamate
Description:
Labels:training, Phenylcarbamates
CAS:
InChi Code:InChI=1S/C11H15NO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7H,1-3H3,(H2,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.07

experimental value

2.49

Eq1: Linear correlation with logP (Training set)

2.40

Eq2: Non-linear regression model (Training set)

2.4

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