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463-51-4

463-51-4 structural image
Product Name: ketene
Formula: C2H2O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Ketene appears as a colorless highly reactive gas with a penetrating odor. mp: -150 °C, bp: -56 °C. Reacts violently with water. Soluble in diethyl ether and acetone. Severely irritates the eyes, the skin and the respiratory tract. Used is the manufacture of acetic anhydride, sorbic acid, cinnamic acids, chloroacetyl chloride and other materials. Readily polymerizes and cannot be shipped or stored. Is obtained instead as needed from diketene. DIKETENE (CAS: 674-82-8; Formula: C4H2O2 ) is a colorless liquid with a pungent odor. mp: -6.5 °C; bp: 127 °C. Density 1.08 g/cm3. Reacts violently with water. Is obtained from the dimerization of ketene and can be stored and transported under refrigeration. A severe lachrymator (irritates the eyes, the respiratory tract, and the skin as well). Depolymerizes at 650 °C to give ketene.
Color/Form COLORLESS GAS
Odor PENETRATING ODOR
Taste DISAGREEABLE TASTE
Boiling Point -69 °F at 760 mmHg (NIOSH, 2023)
Melting Point -238 °F (NIOSH, 2023)
Flash Point Flammable gas
Solubility Reacts with water (NIOSH, 2023)
Density 1.45(relative gas density)
Vapor Density 1.45 (NIOSH, 2023) - Heavier than air; will sink (Relative to Air)
Vapor Pressure greater than 1 atm (NIOSH, 2023)
Heat of Combustion 1025.4 kJ/mol (gas)
Ionization Potential 9.61 eV
Other Experimental Properties CONVERSION FACTORS: 1 MG/LITER= 582 PPM; 1 PPM= 1.7 MG/CU M
Chemical Classes Toxic Gases & Vapors -> Other Toxic Gases & Vapors

COMPUTED DESCRIPTORS

Molecular Weight 42.04 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 42.010564683 g/mol
Monoisotopic Mass 42.010564683 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 3
Formal Charge 0
Complexity 25.8
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 No

PRODUCT INTRODUCTION

description

Ketene appears as a colorless highly reactive gas with a penetrating odor. mp: -150 °C, bp: -56 °C. Reacts violently with water. Soluble in diethyl ether and acetone. Severely irritates the eyes, the skin and the respiratory tract. Used is the manufacture of acetic anhydride, sorbic acid, cinnamic acids, chloroacetyl chloride and other materials. Readily polymerizes and cannot be shipped or stored. Is obtained instead as needed from diketene. DIKETENE (CAS: 674-82-8; Formula: C4H2O2 ) is a colorless liquid with a pungent odor. mp: -6.5 °C; bp: 127 °C. Density 1.08 g/cm3. Reacts violently with water. Is obtained from the dimerization of ketene and can be stored and transported under refrigeration. A severe lachrymator (irritates the eyes, the respiratory tract, and the skin as well). Depolymerizes at 650 °C to give ketene.