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:653
Name:2-Acetonaphthalene
Description:Other name: 1-(Naphthalenyl)ethanone
Labels:validation, Other_compounds
CAS:93-08-3
InChi Code:InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.93

experimental value

2.62

Eq1: Linear correlation with logP (Validation set)

2.52

Eq2: Non-linear regression model (Validation set)

2.52

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