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:213
Name:2,3,5,6-Tetrachloroterephthalic acid
Description:
Labels:training, Organic_acids
CAS:2136-79-0
InChi Code:InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.5

experimental value

1.89

Eq1: Linear correlation with logP (Training set)

1.90

Eq2: Non-linear regression model (Training set)

1.5

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

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