CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Insoluble in water; [ChemIDplus] |
|---|---|
| Color/Form | Needles from acetic acid |
| Melting Point | 125.4 °C |
| Density | 1.232 g/cu cm |
| LogP | log Kow = 7.11 |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Other Experimental Properties | Ionization potential: 7.71; Absorption coefficient for thermal electrons: 1.2 |
| Chemical Classes | Other Classes -> Polycyclic Aromatic Hydrocarbons |
COMPUTED DESCRIPTORS
| Molecular Weight | 278.3 g/mol |
|---|---|
| XLogP3 | 7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 278.109550447 g/mol |
| Monoisotopic Mass | 278.109550447 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 399 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |