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: | 440 | |
|---|---|---|
| Name: | Isoxaben | |
| Description: | ||
| Labels: | training, Aromatic_Heterocycles | |
| CAS: | 82558-50-7 | |
| InChi Code: | InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.4 |
experimental value |
| 3.01 |
Eq1: Linear correlation with logP (Training set) |
| 2.90 |
Eq2: Non-linear regression model (Training set) |
| 2.9 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8024159 | US EPA CompTox Dashboard |