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: | 108 | |
|---|---|---|
| Name: | Butralin | |
| Description: | ||
| Labels: | training, Nitro-N-alkylanilines | |
| CAS: | 33629-47-9 | |
| InChi Code: | InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 3.98 |
experimental value |
| 4.08 |
Eq1: Linear correlation with logP (Training set) |
| 4.12 |
Eq2: Non-linear regression model (Training set) |
| 4.12 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3032337 | US EPA CompTox Dashboard |