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:524
Name:4-Nonylphenyl diphenyl phosphate
Description:
Labels:training, Organic_phosphides
CAS:64532-97-4
InChi Code:InChI=1S/C27H33O4P/c1-2-3-4-5-6-7-10-15-24-20-22-27(23-21-24)31-32(28,29-25-16-11-8-12-17-25)30-26-18-13-9-14-19-26/h8-9,11-14,16-23H,2-7,10,15H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.06

experimental value

6.13

Eq1: Linear correlation with logP (Training set)

5.09

Eq2: Non-linear regression model (Training set)

5.09

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

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