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: | 93 | |
|---|---|---|
| Name: | Pentabromoethylbenzene | |
| Description: | ||
| Labels: | training, Halogenated_benzenes | |
| CAS: | 85-22-3 | |
| InChi Code: | InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 4.92 |
experimental value |
| 5.03 |
Eq1: Linear correlation with logP (Training set) |
| 5.21 |
Eq2: Non-linear regression model (Training set) |
| 5.21 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7021782 | US EPA CompTox Dashboard |