1,4-Benzenedicarbonitrile

• Formula: C₈H₄N₂
• Molecular weight: 128.1308
• IUPAC Standard InChI: InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H Copy

  
• IUPAC Standard InChIKey: BHXFKXOIODIUJO-UHFFFAOYSA-N Copy
• CAS Registry Number: 623-26-7
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Terephthalonitrile; p-Benzenedinitrile; p-Dicyanobenzene; p-Phthalodinitrile; Terephthalic acid dinitrile; Terephthalodinitrile; 1,4-Dicyanobenzene; 4-Cyanobenzonitrile; Terephthalonitrile (di); p-Pdn; Nitril kyseliny tereftalove; Tereftalodinitril; 1,4-Benzodinitrile; 1,4-Benzendikarbonitril; Tereftalonitril; p-Phthalonitrile; p-Cyanobenzonitrile; NSC 144977; NSC 78439
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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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

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

Electron affinity determinations

Ionization energy determinations

References

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

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

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]

Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P., Electron affinities of di- and tetracyanoethylene and cyanobenzenes based on measurements of gas-phase electron transfer equilibria, J. Am. Chem. Soc., 1986, 108, 5453. [all data]

Neijzen and DeLange, 1978
Neijzen, B.J.M.; DeLange, C.A., Photoelectron spectroscopy of mono-dicyanobenzenes their perfluoro derivatives, J. Electron Spectrosc. Relat. Phenom., 1978, 14, 187. [all data]

Palmer, Moyes, et al., 1980
Palmer, M.H.; Moyes, W.; Spiers, M., The electronic structure of substituted benzenes: Ab initio calculations and photoelectron spectra for benzonitrile, the tolunitriles, fluorobenzonitriles, dicyanobenzenes and ethynylbenzene, J. Mol. Struct., 1980, 62, 165. [all data]

Notes

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• Symbols used in this document:
  

  EA	Electron affinity

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