CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colorless liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Vapor Pressure | 17.8 [mmHg] |
| Kovats Retention Index | 794 794.7 794.25 794 794 794 795 792.8 793.1 794 795 795 797 795 795 795 795 784 793.8 794 795 795 794 784 |
| Chemical Classes | Other Classes -> Aliphatics, Unsaturated |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.21 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 4 |
| Exact Mass | 112.125200510 g/mol |
| Monoisotopic Mass | 112.125200510 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 45.1 |
| 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 |