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Mustard Gas

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Condensed phase thermochemistry data

Go To: Top, Phase change data, Henry's Law data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

Quantity Value Units Method Reference Comment
Deltafliquid-47.92 ± 0.38kcal/molCcrJohn, 1975 
Quantity Value Units Method Reference Comment
Deltacliquid-756.09 ± 0.30kcal/molCcrJohn, 1975 

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

Quantity Value Units Method Reference Comment
Tboil489.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Deltavap14.30 ± 0.50kcal/molVBent and Francel, 1948ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
14.2303.A,MMStephenson and Malanowski, 1987Based on data from 288. - 358. K. See also Balson, Denbigh, et al., 1947, Boublik, Fried, et al., 1984, and Bent and Francel, 1948.; AC
12.0373.N/AHolst and Melander, 1943Based on data from 353. - 393. K.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Reference Comment
19.3271.Buchanan, Buettner, et al., 2006Based on data from 248. - 293. K.; AC
18.5275.Stephenson and Malanowski, 1987Based on data from 263. - 287. K.; AC

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)

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

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference
30. VN/A

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References, Notes

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

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin VERIFINN
NIST MS number 289463

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Gas Chromatography

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

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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-541178.Kostiainen, 200025. m/0.32 mm/0.25 «mu»m, He, 40. C @ 1. min, 10. K/min, 280. C @ 10. min
CapillarySE-541177.Salehuddin, 199725. m/0.32 mm/0.25 «mu»m, He, 40. C @ 1. min, 10. K/min, 280. C @ 1. min
CapillarySE-541177.07Salehuddin, 199725. m/0.32 mm/0.25 «mu»m, He, 40. C @ 1. min, 10. K/min, 280. C @ 1. min
CapillarySE-541177.07Salehuddin, 199725. m/0.32 mm/0.25 «mu»m, He, 40. C @ 1. min, 10. K/min, 280. C @ 1. min
CapillarySE-541173.25Kaipainen, Kostiainen, et al., 199225. m/0.32 mm/0.25 «mu»m, He, 40. C @ 1. min, 10. K/min; Tend: 280. C
CapillarySE-541173.59Kaipainen, Kostiainen, et al., 199225. m/0.32 mm/0.25 «mu»m, He, 40. C @ 1. min, 10. K/min; Tend: 280. C
CapillaryDB-11136.Hancock and Peters, 1991He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
CapillaryDB-51175.5Hancock and Peters, 1991He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm
CapillaryDB-11124.D'agostino and Provost, 198815. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min
CapillaryDB-51172.7D'agostino and Provost, 198815. m/0.32 mm/0.25 «mu»m, 50. C @ 2. min, 10. K/min, 300. C @ 5. min
CapillaryDB-11123.8D'Agostino and Provost, 198515. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min
CapillaryDB-11124.8D'Agostino and Provost, 198515. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min
CapillaryDB-51172.7D'Agostino and Provost, 198515. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min; Tend: 300. C
CapillaryDB-51174.1D'Agostino and Provost, 198515. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1820.D'Agostino and Provost, 198515. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min, 250. C @ 5. min

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51178.Hanaoka, Nomura, et al., 200630. m/0.32 mm/0.25 «mu»m, He, 100. C @ 5. min, 10. K/min; Tend: 280. C
CapillaryDB-51183.Hanaoka, Nomura, et al., 200630. m/0.32 mm/0.25 «mu»m, He, 100. C @ 5. min, 10. K/min; Tend: 280. C
CapillaryHP-51131.Mazurek, Witkiewicz, et al., 2001He, 40. C @ 3. min, 10. K/min, 280. C @ 30. min; Column length: 30. m; Column diameter: 0.32 mm

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane1175.Staples, 2006Program: not specified
Capillary5 % Phenyl methyl siloxane1178.OPCW, 1997Program: not specified
CapillaryPolydimethyl siloxanes1131.Zenkevich and Chupalov, 1996Program: not specified
CapillaryDB-11124.Tarjan, Nyiredy, et al., 1989Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1124.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Mass spectrum (electron ionization), Gas Chromatography, 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" («beta»,«beta»'-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]

Kostiainen, 2000
Kostiainen, O., Gas Chromatography in Screening of Chemicals Related to the Chemical Weapons Convention in Encyclopedia of Analytical Chemistry, Meyers, R.A., ed(s)., John Wiley Sons Ltd, Chichester, 2000, 963-979. [all data]

Salehuddin, 1997
Salehuddin, S.M., Study of chemical warfare agens by retention index method with dual-channel high resolution gas chromatography and high performance liquid chromatography, J. Bangladesh Acad. Sci., 1997, 21, 2, 159-164. [all data]

Kaipainen, Kostiainen, et al., 1992
Kaipainen, A.; Kostiainen, O.; Riekkola, M.-L., Identification of chemical warfare agents in air samples using capillary column gas chromatography with three simultaneous detectors, J. Microcolumn Sep., 1992, 4, 3, 245-251, https://doi.org/10.1002/mcs.1220040311 . [all data]

Hancock and Peters, 1991
Hancock, J.R.; Peters, G.R., Retention index monitoring of compounds of chemical defence interest using thermal desorption gas chromatography, J. Chromatogr., 1991, 538, 2, 249-257, https://doi.org/10.1016/S0021-9673(01)88845-2 . [all data]

D'agostino and Provost, 1988
D'agostino, P.A.; Provost, L.R., Gas chromatographic retention indices of sulphur vesicants and related compounds, J. Chromatogr., 1988, 436, 399-411, https://doi.org/10.1016/S0021-9673(00)94599-0 . [all data]

D'Agostino and Provost, 1985
D'Agostino, P.A.; Provost, L.R., Gas chromatographic retention indices of chemical warfare agents and simulants, J. Chromatogr., 1985, 331, 47-54, https://doi.org/10.1016/0021-9673(85)80005-4 . [all data]

Hanaoka, Nomura, et al., 2006
Hanaoka, S.; Nomura, K.; Wada, T., Determination of mustard and lewisite related compounds in abandoned chemical weapons (Yellow shells) from sources in China and Japan, J. Chromatogr. A, 2006, 1101, 1-2, 268-277, https://doi.org/10.1016/j.chroma.2005.10.028 . [all data]

Mazurek, Witkiewicz, et al., 2001
Mazurek, M.; Witkiewicz, Z.; Popiel, S.; Sliwakowski, M., Capillary gas chromatography-atomic emission spectroscopy-mass spectrometry analysis of sulphur mustard and transformation products in a block recovered from the Baltic Sea, J. Chromatogr. A, 2001, 919, 1, 133-145, https://doi.org/10.1016/S0021-9673(01)00672-0 . [all data]

Staples, 2006
Staples, E.J., Creating a compound library for chemical warfare agents for the ZNose, 2006, retrieved from http://www.estcal.com/TechPapers/Security/CWA-Libraries.pdf. [all data]

OPCW, 1997
OPCW, Conference of the States Parties C-I/DEC.64 (22 May 1997), 1997, retrieved from http://www.opcw.org/html/global/cseries/csp1/CIDEC64.html. [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Tarjan, Nyiredy, et al., 1989
Tarjan, G.; Nyiredy, Sz.; Gyor, M.; Lombosi, E.R.; Lombosi, T.S.; Budahegyi, M.V.; Meszaros, S.Y.; Takacs, J.M., Review. Thirtieth Anniversary of the Retention Index According to Kovats in Gas-Liquid Chromatography, J. Chromatogr., 1989, 472, 1-92, https://doi.org/10.1016/S0021-9673(00)94099-8 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

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