CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid; pungent aroma |
|---|---|
| Boiling Point | 156.00 to 157.00 °C. @ 760.00 mm Hg |
| Solubility | slightly |
| Density | 0.845-0.852 |
| Refractive Index | 1.440-1.445 |
| Kovats Retention Index | 899 899 |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.17 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 112.088815002 g/mol |
| Monoisotopic Mass | 112.088815002 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 92.6 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |