2-Butenoic acid, 3-methyl-, methyl ester

• Formula: C₆H₁₀O₂
• Molecular weight: 114.1424
• IUPAC Standard InChI: InChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3 Copy

  
• IUPAC Standard InChIKey: FZIBCCGGICGWBP-UHFFFAOYSA-N Copy
• CAS Registry Number: 924-50-5
• 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: Crotonic acid, 3-methyl-, methyl ester; Methyl β-methylcrotonate; Methyl senecioate; Methyl 3-methyl-2-butenoate; Methyl 3-methylcrotonate; Methyl 3,3-dimethacrylate; Methyl 3,3-dimethylacrylate; 3-Methylcrotonic acid methyl ester; 3-Methyl-2-butenoic acid, methyl ester; Methyl 3-methylbut-2-enoate
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• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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 by: William E. Acree, Jr., James S. Chickos

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, 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.

Emel'yanenko, Toktonov, et al., 2008
Emel'yanenko, Vladimir N.; Toktonov, Alexey V.; Kozlova, Svetlana A.; Verevkin, Sergey P.; Andrushko, Vasyl; Andrushko, Natalia; Börner, Armin, Structure-Energy Relationships in Unsaturated Esters of Carboxylic Acids. Thermochemical Measurements and ab Initio Calculations, J. Phys. Chem. A, 2008, 112, 17, 4036-4045, https://doi.org/10.1021/jp7115033 . [all data]

Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  ΔvapH°

  Enthalpy of vaporization at standard conditions

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