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:626
Name:Ethyl 4-hydroxybenzoate
Description:
Labels:validation, Other_compounds
CAS:120-47-8
InChi Code:InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.21

experimental value

2.06

Eq1: Linear correlation with logP (Validation set)

2.04

Eq2: Non-linear regression model (Validation set)

2.04

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

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