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: | 228 | |
|---|---|---|
| Name: | Di-2-ethylhexyl phthalate | |
| Description: | ||
| Labels: | training, Benzoates | |
| CAS: | 117-81-7 | |
| InChi Code: | InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 4.94 |
experimental value |
| 5.97 |
Eq1: Linear correlation with logP (Training set) |
| 5.34 |
Eq2: Non-linear regression model (Training set) |
| 5.34 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5020607 | US EPA CompTox Dashboard |