Methylacrylonitrile

• Formula: C₄H₅N
• Molecular weight: 67.0892
• IUPAC Standard InChI: InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3 Copy

  
• IUPAC Standard InChIKey: GYCMBHHDWRMZGG-UHFFFAOYSA-N Copy
• CAS Registry Number: 126-98-7
• 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: 2-Propenenitrile, 2-methyl-; Methacrylonitrile; α-Methacrylonitrile; α-Methylacrylonitrile; Isopropene cyanide; Isopropenylnitrile; 2-Cyano-1-propene; 2-Cyanopropene; 2-Methyl-2-propenenitrile; 2-Methylacrylonitrile; 2-Methylpropenenitrile; CH2C(CH3)CN; 2-Cyanopropene-1; USAF ST-40; Rcra waste number U152; 1-Methyl-1-cyanoethylene; Propenenitrile, 2-methyl; NSC 24145
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• Information on this page:
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Reaction 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₄H₄N^- +  =

By formula: C₄H₄N^- + H⁺ = C₄H₅N

(CAS Reg. No. 42117-14-6 • 4294967295) +  = CAS Reg. No. 42117-14-6

By formula: (CAS Reg. No. 42117-14-6 • 4294967295C₄H₅N) + C₄H₅N = CAS Reg. No. 42117-14-6

References

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

Bartmess and Burnham, 1984
Bartmess, J.E.; Burnham, R., Effect of central substituents on the gas phase acidities of propenes, J. Org. Chem., 1984, 49, 1382. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Notes

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• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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