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: | 107 | |
|---|---|---|
| Name: | 2,6-Dinitro-N-propyl-4-(trifluoromethyl)aniline | |
| Description: | Name changed according to CAS | |
| Labels: | training, Nitro-N-alkylanilines | |
| CAS: | 2077-99-8 | |
| InChi Code: | InChI=1S/C10H10F3N3O4/c1-2-3-14-9-7(15(17)18)4-6(10(11,12)13)5-8(9)16(19)20/h4-5,14H,2-3H2,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 3.6 |
experimental value |
| 3.47 |
Eq1: Linear correlation with logP (Training set) |
| 3.39 |
Eq2: Non-linear regression model (Training set) |
| 3.39 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID90174840 | US EPA CompTox Dashboard |