2-Butenal, 2-methyl-, (E)-

• Formula: C₅H₈O
• Molecular weight: 84.1164
• IUPAC Standard InChI: InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3- Copy

  
• IUPAC Standard InChIKey: ACWQBUSCFPJUPN-HYXAFXHYSA-N Copy
• CAS Registry Number: 497-03-0
• 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.
• Species with the same structure:
  • 2-Butenal,2-methyl-(Z)-
  • 2-methyl-(Z)-2-butenal
• Stereoisomers:
  • 2-Butenal, 2-methyl-
• Other names: Crotonaldehyde, 2-methyl-, (E)-; trans-Tiglaldehyde; trans-2-Methyl-2-butenal; E-2-Methyl-2-butenal; Tiglaldehyde; Tiglic acid aldehyde; Tiglic aldehyde; (2E)-2-Methyl-2-butenal; 2-Methyl-2-butenal, (E); 2-Methyl-2-butenal, trans; 2-Methyl-2(E)-butenal; 2-Methylbut-(E)-2-enal; 2-Methyl-(E)-2-butenal; (E)-2-Methylbut-2-enal; 2-Butenal, 2-methyl-, (2E)-; NSC 2179; Tiglaldehyde (2-Methyl-2-butenal)
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
• 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
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Van Den Dool and Kratz RI, polar column, temperature ramp

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Van Den Dool and Kratz RI, polar column, custom temperature program

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Normal alkane RI, non-polar column, temperature ramp

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

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes

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

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Binder, R.G.; Benson, M.E.; Flath, R.A., Volatile Components of Safflower, J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020 . [all data]

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Kiss, Csoka, et al., 2011
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Cros, Vandanjon, et al., 2007
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Cros, Vandanjon, et al., 2003, 2
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Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔvapH	Enthalpy of vaporization

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