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: | 274 | |
|---|---|---|
| Name: | Benzo[a]pyrene | |
| Description: | ||
| Labels: | training, PAHs | |
| CAS: | 50-32-8 | |
| InChi Code: | InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 5.8 |
experimental value |
| 5.11 |
Eq1: Linear correlation with logP (Training set) |
| 5.29 |
Eq2: Non-linear regression model (Training set) |
| 5.73 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020139 | US EPA CompTox Dashboard |