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:374
Name:Xylicarb
Description:Other name: 3,4-Xylyl methylcarbamate
Labels:training, Phenylcarbamates
CAS:2425-10-7
InChi Code:InChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.71

experimental value

2.13

Eq1: Linear correlation with logP (Training set)

2.09

Eq2: Non-linear regression model (Training set)

2.09

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