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: | 223 | |
|---|---|---|
| Name: | n-Butyl benzyl phthalate | |
| Description: | ||
| Labels: | training, Benzoates | |
| CAS: | 85-68-7 | |
| InChi Code: | InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 3.21 |
experimental value |
| 3.83 |
Eq1: Linear correlation with logP (Training set) |
| 3.81 |
Eq2: Non-linear regression model (Training set) |
| 3.81 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3020205 | US EPA CompTox Dashboard |