2-Butenoic acid, methyl ester, (E)-

• Formula: C₅H₈O₂
• Molecular weight: 100.1158
• IUPAC Standard InChI: InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+ Copy

  
• IUPAC Standard InChIKey: MCVVUJPXSBQTRZ-ONEGZZNKSA-N Copy
• CAS Registry Number: 623-43-8
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • Methyl (E)-2-butenoate
• Stereoisomers:
  • 2-Butenoic acid, methyl ester
  • 2-Butenoic acid, methyl ester, (Z)-
• Other names: Crotonic acid, methyl ester, (E)-; trans-2-Butenoic acid methyl ester; Methyl trans-crotonate; Methyl trans-2-butenoate; (E)-2-Butenoic acid methyl ester; Methyl crotonate, (E)-; (E)-CH3CH=CHC(O)OCH3; (E)-Crotonic acid methyl ester; Methyl α-crotonate, trans-; Methyl E-crotonate; Methyl 2-butenoate, (E)-; Methyl (E)-2-butenoate; 2-Butenoic acid, methyl ester, (2E)-; Methyl E-propene-1-carboxylate; Methyl crotonate
• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

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

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 evaluated by: Edward P. Hunter and Sharon G. Lias

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes

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, Gas phase ion energetics 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.

Schjanberg, 1936
Schjanberg, E., Die verbrennungswarmen und die refraktionsdaten einiger crotonsaureeste, Z. Phys. Chem., 1936, 175, 289-342. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  ΔfH°gas

  Enthalpy of formation of gas at standard conditions

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