CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Diketene, stabilized appears as a colorless liquid with a disagreeable odor. Slightly less dense than water. Irritates skin and eyes. Used to make paints and pharmaceuticals. |
|---|---|
| Color/Form | Colorless liquid; turns brownish-yellow upon standing at room temperature |
| Odor | Pungent odor |
| Boiling Point | 127 °C |
| Melting Point | -6.5 °C |
| Flash Point | 93 °F (NFPA, 2010) |
| Solubility | Very slightly soluble in water in which it decomposes slowly |
| Density | 1.0877 g/cu cm at 20 °C |
| Vapor Density | 2.9 (Air = 1) |
| Vapor Pressure | 10.7 [mmHg] |
| Stability/Shelf Life | Self-initiated exotermic dimerization is explosive. |
| Autoignition Temperature | 590 °F (310 °C) |
| Decomposition | Decomposes in water. |
| Viscosity | 0.88 mPa.s |
| Heat of Vaporization | 42.89 kJ/mol at 25 °C |
| Surface Tension | 33.89 mN/m at 25 °C |
| Polymerization | Readily polymerizes on standing. |
| Refractive Index | Index of refraction: 1.4342 at 23 °C/D |
| Kovats Retention Index | 709.2 |
| Other Experimental Properties | BP: 126-127 °C with slight decomposition; 69-71 °C at 100 mm Hg. MP: -7.5 °C |
| Chemical Classes | Toxic Gases & Vapors -> Other Toxic Gases & Vapors |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral H331:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
| Molecular Weight | 84.07 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 84.021129366 g/mol |
| Monoisotopic Mass | 84.021129366 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 104 |
| 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
Diketene, stabilized appears as a colorless liquid with a disagreeable odor. Slightly less dense than water. Irritates skin and eyes. Used to make paints and pharmaceuticals.