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. |
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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 |
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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 |
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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.