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:69
Name:Propylbenzene
Description:
Labels:training, Alkylbenzenes
CAS:103-65-1
InChi Code:InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.9

experimental value

3.07

Eq1: Linear correlation with logP (Training set)

2.96

Eq2: Non-linear regression model (Training set)

2.96

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

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