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: | 220 | |
|---|---|---|
| Name: | Diisobutyl phthalate | |
| Description: | ||
| Labels: | training, Benzoates | |
| CAS: | 84-69-5 | |
| InChi Code: | InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 3.14 |
experimental value |
| 3.37 |
Eq1: Linear correlation with logP (Training set) |
| 3.28 |
Eq2: Non-linear regression model (Training set) |
| 3.28 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9022522 | US EPA CompTox Dashboard |