CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Volatile oil with a disagreeable, sweetish odor. Mp: -68 to -65 °C; bp: 32-34 °C. Density: 1.38 g cm-3. Is not produced commercially. |
|---|---|
| Color/Form | Colorless oil |
| Odor | Disagreeable, sweetish odor |
| Boiling Point | 90 °F at 760 mmHg (Explodes) (NIOSH, 2023) |
| Melting Point | -87 to -58 °F (NIOSH, 2023) |
| Solubility | Insoluble in water; soluble in ethanol, diethyl ether and acetone |
| Density | 1.26 (NIOSH, 2023) - Denser than water; will sink |
| Vapor Density | Relative vapor density (air = 1): 3.3 |
| Vapor Pressure | 570.0 [mmHg] |
| LogP | log Kow = 1.1 /Estimated/ |
| Henry's Law Constant | Henry's Law constant = 2.0X10-2 atm-cu m/mole @ 25 °C /Estimated/ |
| Stability/Shelf Life | Fireproof. Separated from strong acids and oxidants. Cool. Well closed. Keep in a well-ventilated room. |
| Decomposition | When dichloroacetylene was decomposed in the presence of oxygen, seven substances were found; phosgene, hexachlorobutadiene, chloroform, carbon tetrachloride, trichloroacetyl chloride, tetrachloroethylene, and trichloroacryloylchloride. |
| Kovats Retention Index | 491 |
| Other Experimental Properties | Volatile liquid |
| Chemical Classes | Other Classes -> Halogenated Aliphatics, Unsaturated |
COMPUTED DESCRIPTORS
| Molecular Weight | 94.92 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 93.9377054 g/mol |
| Monoisotopic Mass | 93.9377054 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 4 |
| Formal Charge | 0 |
| Complexity | 46.9 |
| 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 |
PRODUCT INTRODUCTION
description
Volatile oil with a disagreeable, sweetish odor. Mp: -68 to -65 °C; bp: 32-34 °C. Density: 1.38 g cm-3. Is not produced commercially.