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: | 221 | |
|---|---|---|
| Name: | Di-n-butyl phthalate | |
| Description: | ||
| Labels: | training, Benzoates | |
| CAS: | 84-74-2 | |
| InChi Code: | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 3.14 |
experimental value |
| 3.68 |
Eq1: Linear correlation with logP (Training set) |
| 3.63 |
Eq2: Non-linear regression model (Training set) |
| 3.63 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021781 | US EPA CompTox Dashboard |