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:66
Name:1,3-Dimethylbenzene
Description:
Labels:training, Alkylbenzenes
CAS:108-38-3
InChi Code:InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.8

experimental value

2.7

Eq1: Linear correlation with logP (Training set)

2.59

Eq2: Non-linear regression model (Training set)

2.59

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

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