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: | 276 | |
|---|---|---|
| Name: | 7,12-Dimethylbenz[a]anthracene | |
| Description: | ||
| Labels: | training, PAHs | |
| CAS: | 57-97-6 | |
| InChi Code: | InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 5.37 |
experimental value |
| 5.22 |
Eq1: Linear correlation with logP (Training set) |
| 5.37 |
Eq2: Non-linear regression model (Training set) |
| 5.81 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1020510 | US EPA CompTox Dashboard |