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: | BATR | |
|---|---|---|
| Name: | benzanthracene | |
| Description: | ||
| Labels: | ||
| CAS: | 56-55-3 | |
| InChi Code: | InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H |
Properties
logS_hept: logarithm of solubility in n-heptane [mol/L]
| Value | Source or prediction |
|---|---|
| -1.8752 |
experimental value |
| -2.7029 |
Eq1: QSPR for solubility in n-heptane (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5023902 | US EPA CompTox Dashboard |