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: | 177 | |
|---|---|---|
| Name: | 3,5-Dinitroaniline | |
| Description: | ||
| Labels: | training, Anilines | |
| CAS: | 618-87-1 | |
| InChi Code: | InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.55 |
experimental value |
| 1.71 |
Eq1: Linear correlation with logP (Training set) |
| 1.77 |
Eq2: Non-linear regression model (Training set) |
| 1.77 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0044151 | US EPA CompTox Dashboard |