benzene-1,3,5-tricarbonitrile

• Formula: C₉H₃N₃
• Molecular weight: 153.1402
• IUPAC Standard InChI: InChI=1S/C9H3N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H Copy

  
• IUPAC Standard InChIKey: SGLGUTWNGVJXPP-UHFFFAOYSA-N Copy
• CAS Registry Number: 10365-94-3
• 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: 1,3,5-Tricyanobenzene
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
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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.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, References, Notes

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

Electron affinity determinations

References

Go To: Top, Gas phase thermochemistry data, 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.

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

Tsukuda, Kondow, et al., 1997
Tsukuda, T.; Kondow, T.; Dessent, C.E.H.; Bailey, C.G.; Johnson, M.A.; Hendricks, J.H.; Lyapustina, S.S.; Bowe, Characterization of the Anionic Intracluster Polymerization Reaction Product of 2-Chloroacrylonitrile Trimers by Photoelectron Spectroscopy, Chem. Phys. Lett., 1997, 269, 1-2, 17, https://doi.org/10.1016/S0009-2614(97)00255-8 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  EA	Electron affinity
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

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