CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear faintly yellow liquid; Stabilized with 0.01% butylated hydroxytoluene; [MSDSonline] |
|---|---|
| Boiling Point | 175.5 °C |
| Melting Point | -27.3 °C |
| Flash Point | 52 °C |
| Solubility | Sol in acetone, benzene, ether, ethanol |
| Density | 0.9019 @ 25 °C |
| Vapor Density | Relative vapor density (air = 1): 4.1 |
| Vapor Pressure | 0.97 [mmHg] |
| LogP | log Kow = 3.35 |
| Refractive Index | Index of refraction = 1.5508 @ 20 °C |
| Kovats Retention Index | 1019 1009.9 1008 992.3 |
| Chemical Classes | Plastics & Rubber -> Styrenes |
COMPUTED DESCRIPTORS
| Molecular Weight | 118.18 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 118.078250319 g/mol |
| Monoisotopic Mass | 118.078250319 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 86.2 |
| 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 |