CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid; Sweet, fruity, rum, apricot aroma |
|---|---|
| Boiling Point | 268.00 to 272.00 °C. @ 760.00 mm Hg |
| Solubility | Soluble in oils; Slightly soluble in water |
| Density | 0.988-0.994 |
| Refractive Index | 1.485-1.491 |
| Kovats Retention Index | 1482 |
COMPUTED DESCRIPTORS
| Molecular Weight | 206.28 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 206.130679813 g/mol |
| Monoisotopic Mass | 206.130679813 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 183 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |