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:359
Name:Butyl-N-phenylcarbamate
Description:
Labels:training, Phenylcarbamates
CAS:1538-74-5
InChi Code:InChI=1S/C11H15NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.26

experimental value

2.56

Eq1: Linear correlation with logP (Training set)

2.46

Eq2: Non-linear regression model (Training set)

2.46

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