2-Butenoic acid, (E)-

• Formula: C₄H₆O₂
• Molecular weight: 86.0892
• IUPAC Standard InChI: InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ Copy

  
• IUPAC Standard InChIKey: LDHQCZJRKDOVOX-NSCUHMNNSA-N Copy
• CAS Registry Number: 107-93-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • Crotonic acid
  • Isocrotonic acid
  • 2-Butenoic acid, isomer # 1
• Other names: Crotonic acid, (E)-; (E)-Crotonic acid; (E)-2-Butenoic acid; trans-Crotonic Acid; trans-2-Butenoic Acid; (E)-CH3CH=CHCOOH; α-butenoic acid, trans; α-crotonic acid, trans; Ethylideneacetic acid, E; β-methylacrylic acid, trans; 3-Methylacrylic acid, trans; Crotonic acid, trans; β-Methacrylic acid, trans; 2-Butenoic acid, (2E)-; NSC 8751; Crotonic acid
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • UV/Visible spectrum
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

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 as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, Notes

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

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [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]

Mohmand, Hirabayashi, et al., 1981
Mohmand, S.; Hirabayashi, T.; Bock, H., Gasphasen-reaktionen, 22. Thermische erzeugung von C₄H₄O: Vinylketen und ethylidenketen, Chem. Ber., 1981, 114, 1609. [all data]

Holmes, Terlouw, et al., 1979
Holmes, J.L.; Terlouw, J.K.; Vijfhuizen, P.C.; A'Campo, C., Metastable ion studies XII-Molecular and fragment ion structures for isomeric C₄H₆O₂ acids, Org. Mass Spectrom., 1979, 14, 204. [all data]

Van Dam and Oskam, 1978
Van Dam, H.; Oskam, A., He(I) and He(II) photoelectron spectra of some substituted ethylenes, J. Electron Spectrosc. Relat. Phenom., 1978, 13, 273. [all data]

Dann, 1947
Dann, O., Chem. Ber., 1947, 80, 427. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, References

• Symbols used in this document:
  

  Cp,gas	Constant pressure heat capacity of gas
  IE (evaluated)	Recommended ionization energy

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