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:194
Name:4-Methylbenzoic acid
Description:
Labels:training, Organic_acids
CAS:99-94-5
InChi Code:InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.77

experimental value

2.31

Eq1: Linear correlation with logP (Training set)

2.24

Eq2: Non-linear regression model (Training set)

1.84

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

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