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:370
Name:4-Isopropylphenylcarbamate
Description:
Labels:training, Phenylcarbamates
CAS:
InChi Code:InChI=1S/C10H13NO2/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h3-7H,1-2H3,(H2,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.94

experimental value

2.17

Eq1: Linear correlation with logP (Training set)

2.13

Eq2: Non-linear regression model (Training set)

2.13

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