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:367
Name:3-Ethylphenylcarbamate
Description:
Labels:training, Phenylcarbamates
CAS:
InChi Code:InChI=1S/C9H11NO2/c1-2-7-4-3-5-8(6-7)12-9(10)11/h3-6H,2H2,1H3,(H2,10,11)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.66

experimental value

2

Eq1: Linear correlation with logP (Training set)

1.99

Eq2: Non-linear regression model (Training set)

1.99

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