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
  The 3d structure may be viewed using Java or Javascript.
• Other names: 1,3,5-Tricyanobenzene
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Options:
  • Switch to calorie-based units

Gas phase thermochemistry data

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

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
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.