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:655
Name:4-Acetylbiphenyl
Description:
Labels:validation, Other_compounds
CAS:92-91-1
InChi Code:InChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.2

experimental value

2.92

Eq1: Linear correlation with logP (Validation set)

2.8

Eq2: Non-linear regression model (Validation set)

2.80

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

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