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: | 178 | |
|---|---|---|
| Name: | 2,6-Dinitro-4-(trifluoromethyl)aniline | |
| Description: | ||
| Labels: | training, Anilines | |
| CAS: | 445-66-9 | |
| InChi Code: | InChI=1S/C7H4F3N3O4/c8-7(9,10)3-1-4(12(14)15)6(11)5(2-3)13(16)17/h1-2H,11H2 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.56 |
experimental value |
| 2.22 |
Eq1: Linear correlation with logP (Training set) |
| 2.16 |
Eq2: Non-linear regression model (Training set) |
| 2.16 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID70196202 | US EPA CompTox Dashboard |