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: | 281 | |
|---|---|---|
| Name: | 1,2,5,6-Dibenzanthracene | |
| Description: | ||
| Labels: | training, PAHs | |
| CAS: | 53-70-3 | |
| InChi Code: | InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 6.22 |
experimental value |
| 5.51 |
Eq1: Linear correlation with logP (Training set) |
| 5.53 |
Eq2: Non-linear regression model (Training set) |
| 5.97 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020409 | US EPA CompTox Dashboard |