Oxirane, ethenyl-

• Formula: C₄H₆O
• Molecular weight: 70.0898
• IUPAC Standard InChI: InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2 Copy

  
• IUPAC Standard InChIKey: GXBYFVGCMPJVJX-UHFFFAOYSA-N Copy
• CAS Registry Number: 930-22-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 1-Butene, 3,4-epoxy-; Butadiene epoxide; Butadiene monoepoxide; Butadiene monoxide; Ethenyloxirane; 1,2-Epoxy-3-butene; 1,2-Oxido-3-butene; 1,3-Butadiene oxide; 3,4-Epoxy-1-butene; 3,4-Epoxybutene-1; Butadiene monooxide; Butadiene oxide; Vinylethylene oxide; Vinyloxirane; 1,2-Epoxybutene-3; 3,4-Epoxybut-1-ene; 1,3-Butadiene monooxide; 3,4-Epoxybutene; 1,2-Epoxy-3-butylene; 1,3-Butadiene monoepoxide; Oxirane, 2-ethenyl-; NSC 24251; NSC 8023
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₄H₆O⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Coblentz Society, Inc.

Gas Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, custom temperature program

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References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Rogers, 1947
Rogers, M.T., The Electric Moments and Ultraviolet Absorption Spectra of Some Deriva- tives of Cyclopropane and Ethylene Oxide, J. Am. Chem. Soc., 1947, 69, 2544-5. [all data]

Holmes and Lossing, 1986
Holmes, J.L.; Lossing, F.P., Title unavailable, Personal communication to S.G. Lias, 1986. [all data]

Wada and Kiser, 1962
Wada, Y.; Kiser, R.W., Electron impact spectroscopy of some substituted oxiranes, J. Phys. Chem., 1962, 66, 1652. [all data]

McAlduff and Houk, 1977
McAlduff, E.J.; Houk, K.N., Photoelectron spectra of substituted oxiranes and thiiranes. Substituent effects on ionization potentials involving σ orbitals, Can. J. Chem., 1977, 55, 318. [all data]

Zenkevich, 1996
Zenkevich, I.G., Informational Maitenance of Gas Chromatographic Identification of Organic Compounds in Ecoanalytical Investigations, Z. Anal. Chem., 1996, 51, 11, 1140-1148. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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