Benzoic acid, 3-cyano-

• Formula: C₈H₅NO₂
• Molecular weight: 147.1308
• IUPAC Standard InChI: InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11) Copy

  
• IUPAC Standard InChIKey: GYLKKXHEIIFTJH-UHFFFAOYSA-N Copy
• CAS Registry Number: 1877-72-1
• 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: Benzoic acid, m-cyano-; m-Carboxybenzonitrile; m-Cyanobenzoic acid; 3-Cyanobenzoic acid
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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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

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 by: John E. Bartmess

De-protonation reactions

C₈H₄NO₂^- +  =

By formula: C₈H₄NO₂^- + H⁺ = C₈H₅NO₂

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.

Ribeiro da Silva, Amaral, et al., 2008
Ribeiro da Silva, Manuel A.V.; Amaral, Luísa M.P.F.; Boaventura, Cristina R.P.; Gomes, José R.B., Standard molar enthalpies of formation of 2-, 3- and 4-cyanobenzoic acids, The Journal of Chemical Thermodynamics, 2008, 40, 8, 1226-1231, https://doi.org/10.1016/j.jct.2008.04.004 . [all data]

Kebarle and McMahon, 1977
Kebarle, P.; McMahon, T.B., Intrinsic Acidities of Substituted Phenols and Benzoic Acids Determined by Gas Phase Proton Transfer Equilibria, J. Am. Chem. Soc., 1977, 99, 7, 2222, https://doi.org/10.1021/ja00449a032 . [all data]

Notes

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

• Symbols used in this document:
  

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

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