CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colourless to pale yellow solution; Onion aroma with fruity undertones |
|---|---|
| Boiling Point | 197.00 to 198.00 °C. @ 760.00 mm Hg |
| Solubility | 13 mg/L @ 20 °C (exp) |
| Density | 1.085-1.095 |
| Refractive Index | 1.451-1.457 (25°) |
| Kovats Retention Index | 1156 |
COMPUTED DESCRIPTORS
| Molecular Weight | 156.26 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| Exact Mass | 156.151415257 g/mol |
| Monoisotopic Mass | 156.151415257 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 97 |
| 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 |