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:366
Name:3-Methylphenylcarbamate
Description:
Labels:training, Phenylcarbamates
CAS:33222-69-4
InChi Code:InChI=1S/C8H9NO2/c1-6-3-2-4-7(5-6)11-8(9)10/h2-5H,1H3,(H2,9,10)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.48

experimental value

1.68

Eq1: Linear correlation with logP (Training set)

1.75

Eq2: Non-linear regression model (Training set)

1.75

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