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: | 597 | |
|---|---|---|
| Name: | Isophorone | |
| Description: | ||
| Labels: | validation, Other_compounds | |
| CAS: | 78-59-1 | |
| InChi Code: | InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 1.4 |
experimental value |
| 1.95 |
Eq1: Linear correlation with logP (Validation set) |
| 1.95 |
Eq2: Non-linear regression model (Validation set) |
| 1.95 |
Eq3: Non-linear regression model with correction factors (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8020759 | US EPA CompTox Dashboard |