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: | 111 | |
|---|---|---|
| Name: | Dinitramine | |
| Description: | ||
| Labels: | training, Nitro-N-alkylanilines | |
| CAS: | 29091-05-2 | |
| InChi Code: | InChI=1S/C11H13F3N4O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(12,13)14)8(15)10(9)18(21)22/h5H,3-4,15H2,1-2H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 3.63 |
experimental value |
| 3.14 |
Eq1: Linear correlation with logP (Training set) |
| 3.03 |
Eq2: Non-linear regression model (Training set) |
| 3.03 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9040265 | US EPA CompTox Dashboard |