Martin, D.; Maran, U.; Sild, S.; Karelson, M. QSPR Modeling of Solubility of Polyaromatic Hydrocarbons and Fullerene in 1-Octanol and n-Heptane. J. Phys. Chem. B 2007, 111, 33, 9853-9857.
Compound
| ID: | BGP | |
|---|---|---|
| Name: | benzo(ghi)perylene | |
| Description: | ||
| Labels: | ||
| CAS: | 191-24-2 | |
| InChi Code: | InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H |
Properties
logS_hept: logarithm of solubility in n-heptane [mol/L]
| Value | Source or prediction |
|---|---|
| -2.9208 |
experimental value |
| -2.7596 |
Eq1: QSPR for solubility in n-heptane (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5023908 | US EPA CompTox Dashboard |