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: | 229 | |
|---|---|---|
| Name: | Bis(n-octyl) phthalate | |
| Description: | Other name: Dioctyl phthalate | |
| Labels: | training, Benzoates | |
| CAS: | 117-84-0 | |
| InChi Code: | InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 4.38 |
experimental value |
| 6.28 |
Eq1: Linear correlation with logP (Training set) |
| 4.68 |
Eq2: Non-linear regression model (Training set) |
| 4.68 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1021956 | US EPA CompTox Dashboard |