Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.
Compound
| ID: | 107 | |
|---|---|---|
| Name: | 5,6-Dimethylchrysene | |
| Description: | ||
| Labels: | ||
| CAS: | 3697-27-6 | |
| InChi Code: | InChI=1S/C20H16/c1-13-14(2)20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(13)18/h3-12H,1-2H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -7.01 |
experimental value |
| -7.14 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID50190465 | US EPA CompTox Dashboard |