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: | 277 | |
|---|---|---|
| Name: | 3-Methylcholanthrene | |
| Description: | ||
| Labels: | training, PAHs | |
| CAS: | 56-49-5 | |
| InChi Code: | InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 6.1 |
experimental value |
| 5.42 |
Eq1: Linear correlation with logP (Training set) |
| 5.50 |
Eq2: Non-linear regression model (Training set) |
| 5.94 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0020862 | US EPA CompTox Dashboard |