Ethyne, chloro-

• Formula: C₂HCl
• Molecular weight: 60.482
• IUPAC Standard InChI: InChI=1S/C2HCl/c1-2-3/h1H Copy

  
• IUPAC Standard InChIKey: DIWKDXFZXXCDLF-UHFFFAOYSA-N Copy
• CAS Registry Number: 593-63-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Acetylene, chloro-; Chloroacetylene; Chloroethyne; Ethynyl chloride; Monochloroacetylene; C2HCl; 1-Chloroacetylene
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• Information on this page:
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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:
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₂HCl⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C_∞ν     Symmetry Number σ = 1

Source: Shimanouchi, 1972

Notes

Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, temperature ramp

View large format table.

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.

Maier and Thommen, 1984
Maier, J.P.; Thommen, F., Relaxation dynamics of open-shell cations studied by photoelectron-photon coincidence spectroscopy, Gas Phase Ion Chem., 1984, 3, 357. [all data]

Allan, Kloster-Jensen, et al., 1977
Allan, M.; Kloster-Jensen, E.; Maier, J.P., Emission spectra of Cl-C≡C-H⁺, Br-C≡C-H⁺ and I-C≡C-H⁺ radical cations: A²Π → X.²Π band systems and the decay of the A²Π states, J. Chem. Soc. Faraday Trans. 2, 1977, 73, 1406. [all data]

Evans, Scheps, et al., 1973
Evans, K.; Scheps, R.; Rice, S.A.; Heller, D., Primary photochemical and photophysical processes in chloro- and bromo-acetylene, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 856. [all data]

Kloster-Jensen, Pascual, et al., 1970
Kloster-Jensen, E.; Pascual, C.; Vogt, J., Mass spectrometric studies of mono- and di-haloacetylenes,, Helv. Chim. Acta, 1970, 53, 2109. [all data]

Haink, Heilbronner, et al., 1970
Haink, H.J.; Heilbronner, E.; Hornung, V.; KlosterJensen, E., Die Photoelektron-Spektren der Monohalogenacetylene, Helv. Chim. Acta, 1970, 53, 1073. [all data]

Eland, 1979
Eland, J.H.D., Dissociations of state-selected C₂H₂⁺, H₂S⁺ and D₂S⁺ ions studied by photoelectron-photoion coincidence spectroscopy, Int. J. Mass Spectrom. Ion Phys., 1979, 31, 161. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy

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