1,2-Ethanedithiol

• Formula: C₂H₆S₂
• Molecular weight: 94.199
• IUPAC Standard InChI: InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2 Copy

  
• IUPAC Standard InChIKey: VYMPLPIFKRHAAC-UHFFFAOYSA-N Copy
• CAS Registry Number: 540-63-6
• 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: s-Ethylene dimercaptan; Dithioethyleneglycol; Dithioglycol; Ethylene dithioglycol; Ethylene glycol, dithio-; Ethylenedimercaptan; Ethylenedithiol; 1,2-Dimercaptoethane; 1,2-Ethanethiol; Ethane-1,2-dithiol; 1,2-Dithiolethane; NSC 60481
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• Information on this page:
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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 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

View reactions leading to C₂H₆S₂⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Condensed 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.

Mansson and Sunner, 1962
Mansson, M.; Sunner, S., Heats of combustion and formation of the n-Alkane-αω-dithiols from ethane through pentane, Acta Chem. Scand., 1962, 16, 1863-1869. [all data]

Butler, Baer, et al., 1983
Butler, J.J.; Baer, T.; Evans, S.A., Jr., Energetics and structures of organosulfur ions: CH₃SSCH₃⁺, CH₃SS⁺, C₂H₅S⁺, and CH₂SH⁺, J. Am. Chem. Soc., 1983, 105, 3451. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Broer, Weringa, et al., 1979
Broer, W.J.; Weringa, W.D.; Nieuwpoort, W.C., Rearrangements and fragmentations of [C₂H₅S]⁺ ions, Org. Mass Spectrom., 1979, 14, 543. [all data]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions

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