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: | 231 | |
|---|---|---|
| Name: | Diisooctyl phthalate | |
| Description: | ||
| Labels: | training, Benzoates | |
| CAS: | 27554-26-3 | |
| InChi Code: | InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 3.21 |
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 |
|---|---|
| DTXSID0027933 | US EPA CompTox Dashboard |