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: | 114 | |
|---|---|---|
| Name: | 2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline | |
| Description: | Name adjusted according to SMILES | |
| Labels: | training, Nitro-N-alkylanilines | |
| CAS: | ||
| InChi Code: | InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 3.61 |
experimental value |
| 4.15 |
Eq1: Linear correlation with logP (Training set) |
| 4.20 |
Eq2: Non-linear regression model (Training set) |
| 4.2 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4021395 | US EPA CompTox Dashboard |