CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | COLORLESS LIQUID |
| Boiling Point | 181.5 °C @ 760 MM HG |
| Melting Point | -57.8 °C |
| Flash Point | 70 °C |
| Solubility | INSOL IN WATER; VERY SOL IN ALCOHOL, ETHER; SLIGHTLY SOLUBLE IN CARBON TETRACHLORIDE |
| Density | 0.8738 @ 20 °C/4 °C |
| Vapor Pressure | 0.95 [mmHg] |
| LogP | Log P= 4.73 |
| Heat of Combustion | At standard state = -1269.3 kcal/mol at 25 °C, as a liquid. |
| Heat of Vaporization | 12.73 kcal/mol at 25 °C |
| Surface Tension | 27.65 dyne/cm at 20 °C |
| Refractive Index | INDEX OF REFRACTION: 1.4305 @ 20 °C/D |
| Kovats Retention Index | 1043.8 1051 1047 1052 1051 1048.6 1048 |
| Chemical Classes | Other Classes -> Halogenated Aliphatics, Saturated |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H304:Aspiration hazard H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P331:Do NOT induce vomiting. P391:Collect spillage. Hazardous to the aquatic environment P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 148.67 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 6 |
| Exact Mass | 148.1018782 g/mol |
| Monoisotopic Mass | 148.1018782 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 43.8 |
| 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 |