CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; Boiling point = 37-38 deg C; [Alfa Aesar MSDS] |
|---|---|
| Vapor Pressure | 398.0 [mmHg] |
| Kovats Retention Index | 509 498 |
| Chemical Classes | Other Classes -> Aliphatics, Unsaturated |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H225:Flammable liquids H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 82.14 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 82.078250319 g/mol |
| Monoisotopic Mass | 82.078250319 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 73.9 |
| 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 |