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:76
Name:Cyclohexylbenzene
Description:
Labels:training, Alkylbenzenes
CAS:827-52-1
InChi Code:InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.2

experimental value

3.66

Eq1: Linear correlation with logP (Training set)

3.61

Eq2: Non-linear regression model (Training set)

3.61

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

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