CHEMICAL AND PHYSICAL PROPERTIES
Color/Form | Needles from acetic acid |
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Melting Point | 114.5 °C |
Density | 1.232 g/cu cm |
Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
Kovats Retention Index | 483.61 483.57 |
Other Experimental Properties | Constant pressure heat capacity of gas: 286.1 kJ/mol at 298.15 K |
Chemical Classes | Other Classes -> Polycyclic Aromatic Hydrocarbons |
COMPUTED DESCRIPTORS
Molecular Weight | 278.3 g/mol |
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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 |