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:123
Name:4-Methylphenol
Description:
Labels:training, Phenols
CAS:106-44-5
InChi Code:InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.7

experimental value

2

Eq1: Linear correlation with logP (Training set)

1.99

Eq2: Non-linear regression model (Training set)

1.99

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

Links to External Resources