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: | 226 | |
|---|---|---|
| Name: | Di-n-hexylphthalate | |
| Description: | ||
| Labels: | training, Benzoates | |
| CAS: | 84-75-3 | |
| InChi Code: | InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 4.72 |
experimental value |
| 4.98 |
Eq1: Linear correlation with logP (Training set) |
| 5.17 |
Eq2: Non-linear regression model (Training set) |
| 5.17 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6025068 | US EPA CompTox Dashboard |