Ethyne, dichloro-

• Formula: C₂Cl₂
• Molecular weight: 94.927
• IUPAC Standard InChI: InChI=1S/C2Cl2/c3-1-2-4 Copy

  
• IUPAC Standard InChIKey: ZMJOVJSTYLQINE-UHFFFAOYSA-N Copy
• CAS Registry Number: 7572-29-4
• 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.
• Species with the same structure:
  • Dichloroacetylene
• Other names: Acetylene, dichloro-; Dichloroacetylene; Dichloroethyne; ClC≡CCl; C2Cl2
• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Condensed 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.

Data compiled by: Donald R. Burgess, Jr.

Phase change 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 compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DRB - Donald R. Burgess, Jr.

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

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Condensed phase thermochemistry data, 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.

Manion, 2002
Manion, J.A., Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons, J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703 . [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

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]

Klapstein, Maier, et al., 1983
Klapstein, D.; Maier, J.P.; Zambach, W., Emission spectra of rotationally cooled dihaloacetylene cations in the gas phase: A²Π_(Ω,g) → x²Π_(Ω,u) band systems, Chem. Phys., 1983, 77, 463. [all data]

Bock, Ried, et al., 1981
Bock, H.; Ried, W.; Stein, U., Analyse und optimierung von gasphasen-reaktionen, 19. Pyrolyse von cyclobuten-1,2-dionen zu acetylenen, Chem. Ber., 1981, 114, 673. [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]

Heilbronner, Hornung, et al., 1970
Heilbronner, E.; Hornung, V.; Kloster-Jensen, E., Die Photoelektron-Spektren der Dihalogen-acetylene, Helv. Chim. Acta, 1970, 53, 331. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  Tfus	Fusion (melting) point
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions

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