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: | 42 | |
|---|---|---|
| Name: | Bis(2-ethylhexyl)adipate | |
| Description: | ||
| Labels: | training, Esters | |
| CAS: | 103-23-1 | |
| InChi Code: | InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 4.19 |
experimental value |
| 5.86 |
Eq1: Linear correlation with logP (Training set) |
| 5.46 |
Eq2: Non-linear regression model (Training set) |
| 5.09 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0020606 | US EPA CompTox Dashboard |