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: | 109 | |
|---|---|---|
| Name: | Isopropalin | |
| Description: | ||
| Labels: | training, Nitro-N-alkylanilines | |
| CAS: | 33820-53-0 | |
| InChi Code: | InChI=1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 4 |
experimental value |
| 4.28 |
Eq1: Linear correlation with logP (Training set) |
| 4.36 |
Eq2: Non-linear regression model (Training set) |
| 4.36 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8024157 | US EPA CompTox Dashboard |