Mustard Gas

• Formula: C₄H₈Cl₂S
• Molecular weight: 159.077
• IUPAC Standard InChI: InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2 Copy

  
• IUPAC Standard InChIKey: QKSKPIVNLNLAAV-UHFFFAOYSA-N Copy
• CAS Registry Number: 505-60-2
• 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: Bis(2-chloroethyl) sulfide; Sulfur mustard; HD; Ethane, 1,1'-thiobis[2-chloro-; 1,1'-Thiobis(2-chloroethane); Yellow cross liquid; Kampfstoff "lost"; Yperite; 2,2'-Dichlorodiethyl sulfide; 1-Chloro-2-(β-chloroethylthio)ethane; Sulfur mustard gas; Schwefel-lost; Distilled mustard; Mustard HD; Gelbkreuz; S Lost; S Mustard; Mustard, sulfur; Mustard Vapor; Mustard; Sulfide, bis(2-chloroethyl); beta,beta'-Dichlorodiethyl sulfide; β,β'-Dichloroethyl sulfide; β-Chloroethylisobutyl sulfide; 2,2'-Dichloroethyl sulfide; Agent hd; Bis(β-chloroethyl) sulfide; Di(2-chloroethyl) sulfide; β,β-Dichloroethyl sulfide; Iprit; Kampstoff lost; Lost; S-Yperite; Senfgas; Yellow cross gas; Bis(2-chloroethyl) sulphide; Agent THD; THD
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • 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

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:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Enthalpy of sublimation

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

John, 1975
John, W.H., The enthalpies of combustion and formation of 2,2'-dichloroethyl sulfide, J. Res. NBS, 1975, 79, 635-639. [all data]

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]

Bent and Francel, 1948
Bent, H.E.; Francel, R.J., The vapor pressure of "Mustard Gas" (β,β'-dichloroethylsufide), diphenyl ether and their mixtures, J. Am. Chem. Soc., 1948, 70, 634-637. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Balson, Denbigh, et al., 1947
Balson, E.W.; Denbigh, K.G.; Adam, N.K., Studies in vapour pressure measurement. Part I.?The vapour pressure of ???-dichlorethyl sulphide (mustard gas), Trans. Faraday Soc., 1947, 43, 42, https://doi.org/10.1039/tf9474300042 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Holst and Melander, 1943
Holst, G.; Melander, L., Svensk. Kem. Tid., 1943, 55, 131. [all data]

Buchanan, Buettner, et al., 2006
Buchanan, James H.; Buettner, Leonard C.; Tevault, David E., Vapor Pressure of Solid Bis(2-chloroethyl) Sulfide, J. Chem. Eng. Data, 2006, 51, 4, 1331-1334, https://doi.org/10.1021/je060077o . [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tboil	Boiling point
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

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