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:211
Name:Phthalic acid
Description:
Labels:training, Organic_acids
CAS:88-99-3
InChi Code:InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.07

experimental value

1.55

Eq1: Linear correlation with logP (Training set)

1.66

Eq2: Non-linear regression model (Training set)

1.26

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

Links to External Resources