1-Buten-3-yne, 2-methyl-

• Formula: C₅H₆
• Molecular weight: 66.1011
• IUPAC Standard InChI: InChI=1S/C5H6/c1-4-5(2)3/h1H,2H2,3H3 Copy

  
• IUPAC Standard InChIKey: BOFLDKIFLIFLJA-UHFFFAOYSA-N Copy
• CAS Registry Number: 78-80-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Isopropenylacetylene; CH2=C(CH3)C≡CH; 2-Methyl-1-buten-3-yne; 2-Methylbut-1-en-3-yne; Valylene; 3-Methyl-3-buten-1-yne; 2-Methylbutenyne; 2-Methyl-1-butenyne; 1-Butene-3-yne, 2-methyl-; NSC 9296; 3-Methyl-3-butene-1-yne
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • Gas Chromatography
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Gas Phase Kinetics Database
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes

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

Lebedeva, Ryadnenko, et al., 1977
Lebedeva, N.D.; Ryadnenko, V.L.; Kiseleva, N.N.; Nazarova, L.F., Enthalpy of formation of isopropenylacetylene and diisopropenyldiacetylene, Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th, 1977, 1, 91-95. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Petrov, Kolesova, et al., 1957
Petrov, A.A.; Kolesova, V.A.; Porfir'eva, Y.I., Conjugated Systems. LXXVIII Raman Spectra and Reactivity of Vinylacetylenic Hydrocarbons, Zh. Obshch. Khim., 1957, 27, 2081-7. [all data]

Carothers and Coffman, 1932
Carothers, W.H.; Coffman, D.D., Homologs of Chloroprene and Their Polymers (Second Paper on New Synthetic Rubber), J. Am. Chem. Soc., 1932, 54, 4071-6. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions

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