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: | 461 | |
|---|---|---|
| Name: | 4-Azaphenanthrene | |
| Description: | ||
| Labels: | training, Polyaromatic_heterocycles | |
| CAS: | 85-02-9 | |
| InChi Code: | InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 4.64 |
experimental value |
| 2.9 |
Eq1: Linear correlation with logP (Training set) |
| 2.79 |
Eq2: Non-linear regression model (Training set) |
| 3.76 |
Eq3: Non-linear regression model with correction factors (Training set) |