Thionyl chloride

• Formula: Cl₂OS
• Molecular weight: 118.970
• IUPAC Standard InChI: InChI=1S/Cl2OS/c1-4(2)3 Copy

  
• IUPAC Standard InChIKey: FYSNRJHAOHDILO-UHFFFAOYSA-N Copy
• CAS Registry Number: 7719-09-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Sulfinyl chloride; Sulfur chloride oxide (Cl2SO); Sulfurous dichloride; Sulfurous oxychloride; Thionyl dichloride; SOCl2; Sulfur chloride oxide; UN 1836; Sulfinyl dichloride; Sulfur oxychloride; Sulfur oxychloride (SOCl2); Thionyl chloride (SOCl2)
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• Information on this page:
  • Phase change data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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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:
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Ion clustering 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = Cl₃OS^-

By formula: Cl^- + Cl₂OS = Cl₃OS^-

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.

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Bachrach, Hayes, et al., 2001
Bachrach, S.M.; Hayes, J.M.; Check, C.E.; Sunderlin, L.S., Potential energy surface of SOCl3-, J. Phys. Chem. A, 2001, 105, 41, 9595-9597, https://doi.org/10.1021/jp012412f . [all data]

Notes

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• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization

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