2-Propenenitrile, 2-chloro-

• Formula: C₃H₂ClN
• Molecular weight: 87.508
• IUPAC Standard InChI: InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2 Copy

  
• IUPAC Standard InChIKey: OYUNTGBISCIYPW-UHFFFAOYSA-N Copy
• CAS Registry Number: 920-37-6
• 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: Acrylonitrile, 2-chloro-; α-Chloroacrylonitrile; Chloroacrylonitrile; 2-Chloroacrylonitrile; Alpha-chloro acrylonitrile; Propenenitrile, 2-chloro-
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • Mass spectrum (electron ionization)
• Options:
  • Switch to SI units

Phase change 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.

Data compiled by: Robert L. Brown and Stephen E. Stein

Gas phase ion energetics data

Go To: Top, Phase change 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 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, Phase change 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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Ichihashi, Hirokawa, et al., 1995
Ichihashi, M.; Hirokawa, J.; Tsukuda, T.; Kondow, T.; Dessent, C.E.H.; Bailey, C.G.; Scarton, M.G., Characterization of the 2-chloroacrylonitrile negative ion using photoelectron and photofragmentation spectroscopies, J. Phys. Chem., 1995, 99, 6, 1655, https://doi.org/10.1021/j100006a006 . [all data]

Houk and Munchausen, 1976
Houk, K.N.; Munchausen, L.L., Ionization potentials, electron affinities, reactivities of cyanoalkenes related electron-deficient alkenes. A frontier molecular orbital treatment of cyanoalkene reactivities in cycloaddition, electrophilic, nucleophilic, and radical reactions., J. Am. Chem. Soc., 1976, 98, 937. [all data]

Notes

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

• Symbols used in this document:
  

  EA	Electron affinity
  Tboil	Boiling point

• 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.