Diethyl disulfide

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Phase change data

Go To: Top, 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil425.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil427.2KN/AWeast and Grasselli, 1989BS
Tboil427.2KN/AMajer and Svoboda, 1985 
Tboil427.KN/AMcallan, Cullum, et al., 1951Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus172.KN/AMcallan, Cullum, et al., 1951Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple171.64KN/AScott, Finke, et al., 1952Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc642.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap45.3 ± 0.4kJ/molAVGN/AAverage of 10 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
37.58427.2N/AMajer and Svoboda, 1985 
45.7302.AStephenson and Malanowski, 1987Based on data from 287. to 434. K.; AC
40.9388.EBStephenson and Malanowski, 1987Based on data from 373. to 431. K. See also Osborn and Douslin, 1966 and Scott, Finke, et al., 1952, 2.; AC
40.9 ± 0.1373.73VScott, Finke, et al., 1952, 3ALS
41.5374.EBWhite, Barnard--Smith, et al., 1952Based on data from 359. to 433. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) β Tc (K) Reference Comment
298. to 400.60.920.2744642.Majer and Svoboda, 1985 

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
373.71 to 434.034.099971485.97-64.192Osborn and Douslin, 1966 
273. to 353.4.31761605.244-53.643Scott, Finke, et al., 1952, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
9.4044171.64Scott, Finke, et al., 1952, 2DH
9.4171.6Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
54.79171.64Scott, Finke, et al., 1952, 2DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas Chromatography

Go To: Top, Phase change data, 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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101130.923.Misharina and Golovnya, 1989He; Column length: 50. m; Column diameter: 0.32 mm
PackedApiezon M130.935.Garbuzov, Misharina, et al., 1985He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m
PackedSE-30110.917.Möckel and Zolg, 1977Chromosorb W AW (80-100 mesh); Column length: 2. m
PackedDC-200120.923.Golovnya and Arsen'ev, 1970Column length: 1.5 m
PackedDC-20060.901.Golovnya and Arsen'ev, 1970Column length: 1.5 m
PackedSE-30130.921.Golovnya and Arsen'ev, 1970Column length: 1.5 m
PackedSE-3060.904.Golovnya and Arsen'ev, 1970Column length: 1.5 m

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M110.1244.Möckel and Zolg, 1977He, Chromosorb W AW (80-100 mesh); Column length: 6. m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5932.Mahattanatawee K., Perez-Cacho P.R., et al., 200730. m/0.32 mm/0.5 μm, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C
CapillaryOV-101910.Misharina and Golovnya, 1989He, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS926.Selli, Rannou, et al., 200630. m/0.32 mm/0.5 μm, He; Program: 50C => 5C/min => 200C => 8C/min => 260C(5min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1215.Mahattanatawee K., Perez-Cacho P.R., et al., 200730. m/0.32 mm/0.5 μm, He, 7. K/min, 240. C @ 5. min; Tstart: 40. C
CapillaryDB-Wax1217.Selli, Rannou, et al., 200630. m/0.25 mm/0.5 μm, He, 4. K/min, 260. C @ 5. min; Tstart: 50. C
CapillaryDB-Wax1192.Karagül-Yüceer, Cadwallader, et al., 200230. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-FFAP1192.Karagül-Yüceer, Cadwallader, et al., 200230. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryFFAP1246.Stephan and Steinhart, 199960. m/0.25 mm/0.5 μm, 50. C @ 3. min, 5. K/min, 230. C @ 15. min

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L100.935.Kavan, 1973Column length: 3.2 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5925.Savel'eva, Zenkevich, et al., 200325. m/0.20 mm/0.33 μm, Helium, 40. C @ 1. min, 5. K/min, 270. C @ 15. min
CapillaryRSL-200911.Jirovetz, Ngassoum, et al., 200230. m/0.32 mm/0.25 μm, H2, 50. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillarySPB-5922.Pino, Marbot, et al., 200230. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-5916.Schlüter, Steinhart, et al., 199934. C @ 3. min, 5. K/min, 200. C @ 10. min; Phase thickness: 0.25 μm
CapillaryDB-1910.Rapior, Breheret, et al., 199730. m/0.2 mm/0.25 μm, He, 50. C @ 2. min, 4. K/min; Tend: 200. C
CapillarySE-54927.Weenen, Koolhaas, et al., 199650. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 300. C
CapillarySE-54933.Weenen, Koolhaas, et al., 199650. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 300. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySE-30910.Vinogradov, 2004Program: not specified
CapillarySE-30952.Vinogradov, 2004Program: not specified
CapillaryApieson M935.Gao, Wang, et al., 2003Program: not specified
CapillaryCP Sil 5 CB913.Lermusieau, Bulens, et al., 200150. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min)
CapillaryCP Sil 5 CB912.Lermusieau, Bulens, et al., 200150. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min)
CapillaryCP Sil 5 CB910.Gijs, Piraprez, et al., 200050. m/0.32 mm/1.2 μm, He; Program: 33C (16.5min) => 2C/min => 160C => 20C/min => 200C (9min)
CapillarySPB-1925.Nedjma and Maujean, 199530. m/0.32 mm/4. μm, H2; Program: 35(1)-10 -> 55-25 ->250
CapillarySE-52903.van Langenhove and Schamp, 1986Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.903.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedApiezon M936.Golovnya, Misharina, et al., 1983N2, Chromosorb W AW/DMCS; Column length: 5.6 m; Program: 60C(7min), 100C(7min), 150C isothermal

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101197.Chin, Nazimah, et al., 200710. m/0.1 mm/0.1 μm, He, 40. C @ 1.5 min, 50. K/min, 240. C @ 2. min
CapillaryPEG-20M1210.Narain, Almeida, et al., 200450. m/0.20 mm/0.20 μm, 40. C @ 5. min, 3. K/min, 180. C @ 30. min
CapillaryPEG-20M1210.Narain, Almeida, et al., 200450. m/0.20 mm/0.20 μm, 40. C @ 5. min, 3. K/min, 180. C @ 30. min
CapillaryDB-Wax1248.Schlüter, Steinhart, et al., 199960. m/0.32 mm/0.5 μm, He, 34. C @ 3. min, 5. K/min, 200. C @ 10. min
CapillaryDB-Wax1187.Schlüter, Steinhart, et al., 199960. m/0.32 mm/0.25 μm, He, 34. C @ 3. min, 5. K/min, 200. C @ 10. min
CapillaryDB-Wax1209.Werkhoff, Güntert, et al., 199860. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1232.Vinogradov, 2004Program: not specified
CapillaryPEG-10001257.Gao, Wang, et al., 2003Program: not specified

References

Go To: Top, Phase change data, Gas Chromatography, Notes

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

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Mcallan, Cullum, et al., 1951
Mcallan, D.T.; Cullum, T.V.; Dean, R.A.; Fidler, F.A., The Preparation and Properties of Sulfur Compounds Related to Petroleum I. The Dialkyl Sulfides and Disulfides, J. Am. Chem. Soc., 1951, 73, 3627-32. [all data]

Scott, Finke, et al., 1952
Scott, D.W.; Finke, H.L.; McCullough, J.P.; Gross, M.E.; Pennington, R.E.; Waddington, G., 3,4-Dithiahexane: Heat Capacity, Heat of Fusion and Vaporization, Vapor Pressure, Entropy, and Thermodynamic Functions, J. Am. Chem. Soc., 1952, 74, 2478-83. [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]

Osborn and Douslin, 1966
Osborn, A.G.; Douslin, D.R., Vapor Pressure Relations of 36 Sulfur Compounds Present in Petroleum., J. Chem. Eng. Data, 1966, 11, 4, 502-509, https://doi.org/10.1021/je60031a014 . [all data]

Scott, Finke, et al., 1952, 2
Scott, D.W.; Finke, H.L.; McCullough, J.P.; Gross, M.E.; Pennington, R.E.; Waddington, G., 3,4-Dithiahexane: heat capacity, heats of fusion and vaporization, vapor pressure, entropy, and thermodynamic functions, J. Am. Chem. Soc., 1952, 74, 2478-2483. [all data]

Scott, Finke, et al., 1952, 3
Scott, D.W.; Finke, H.L.; McCullough, J.P.; Gross, M.E.; Pennington, R.E.; Waddington, G., 3,4-Dithiahexane: Heat capacity, heats of fusion and vaporization, vapor pressure, entropy, and thermodynamic functions, J. Am. Chem. Soc., 1952, 74, 2478-24. [all data]

White, Barnard--Smith, et al., 1952
White, P.T.; Barnard--Smith, D.G.; Fidler, F.A., Vapor Pressure--Temperature Relationships of Sulfur Compounds Related to Petroleum, Ind. Eng. Chem., 1952, 44, 6, 1430-1438, https://doi.org/10.1021/ie50510a064 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Misharina and Golovnya, 1989
Misharina, T.A.; Golovnya, R.V., Regularities of retention of a pseudohomologous series of dialkylpolysulfides in capillary gas chromatography, Zh. Anal. Khim., 1989, 44, 514-519. [all data]

Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V., Gas chromatographic retention indices for sulphur(II)-containing organic substances, J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]

Möckel and Zolg, 1977
Möckel, H.J.; Zolg, M., Retentionsindices n-aliphatischer Schwefelverbindungen, Z. Anal. Chem., 1977, 285, 1, 45-46, https://doi.org/10.1007/BF00446017 . [all data]

Golovnya and Arsen'ev, 1970
Golovnya, R.V.; Arsen'ev, Y.N., Gas-chromatographic method for the analysis of n-mercaptans and symmetrical n-sulfides and n-disulfides, Bull. Acad. Sci. USSR, Div. Chem. Sci. (Engl. Transl.), 1970, 6, 4, 1316-1318, https://doi.org/10.1007/BF00852683 . [all data]

Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Mahattanatawee K.; Perez-Cacho P.R.; Davenport T.; Rouseff R., Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection, J. Agric. Food Chem., 2007, 55, 5, 1939-1944, https://doi.org/10.1021/jf062925p . [all data]

Selli, Rannou, et al., 2006
Selli, S.; Rannou, C.; Prost, C.; Robin, J.; Serot, T., Characterization of Aroma-Active Compounds in Rainbow Trout (Oncorhynchus mykiss) Eliciting an Off-Odor, J. Agric. Food Chem., 2006, 54, 25, 9496-9502, https://doi.org/10.1021/jf0619582 . [all data]

Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A., Volatile flavor components of stored nonfat dry milk, J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a . [all data]

Stephan and Steinhart, 1999
Stephan, A.; Steinhart, H., Identification of character impact odorants of different soybean lecithins, J. Agric. Food Chem., 1999, 47, 7, 2854-2859, https://doi.org/10.1021/jf981387g . [all data]

Kavan, 1973
Kavan, I., Analysis of odorants, Sbornik Praci UVP, 1973, 26, 128-144. [all data]

Savel'eva, Zenkevich, et al., 2003
Savel'eva, E.I.; Zenkevich, I.G.; Radilov, A.S., Identification the Products of Chemical Neutralization of O-Isobutyl-S-(2-diethylaminoethyl)methylthiophosphonate in the Composition of Bitumen-Salt Matrices, Zh. Anal. Khim. (Rus.), 2003, 58, 2, 135-145. [all data]

Jirovetz, Ngassoum, et al., 2002
Jirovetz, L.; Ngassoum, M.B.; Geissler, M., Analysis of the headspace aroma compounds of the seeds of the Cameroonian garlic plant Hua gabonii using SPME/GC/FID, SPME/GC/MS and olfactometry, Eur. Food Res. Technol., 2002, 214, 3, 212-215, https://doi.org/10.1007/s00217-001-0481-y . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C., Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.), Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]

Schlüter, Steinhart, et al., 1999
Schlüter, S.; Steinhart, H.; Schwarz, F.J.; Kirchgessner, M., Changes in the odorants of boiled carp fillet (Cyprinus carpio L.) as affected by increasing methionine levels in feed, J. Agric. Food Chem., 1999, 47, 12, 5146-5150, https://doi.org/10.1021/jf9902604 . [all data]

Rapior, Breheret, et al., 1997
Rapior, S.; Breheret, S.; Talou, T.; Bessiére, J.-M., Volatile flavor constituents of fresh Marasmius alliaceus (garlic Marasmius), J. Agric. Food Chem., 1997, 45, 3, 820-825, https://doi.org/10.1021/jf960511y . [all data]

Weenen, Koolhaas, et al., 1996
Weenen, H.; Koolhaas, W.E.; Apriyantono, A., Sulfur-containing volatiles of durian fruits (Durio zibethinus Murr.), J. Agric. Food Chem., 1996, 44, 10, 3291-3293, https://doi.org/10.1021/jf960191i . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Gao, Wang, et al., 2003
Gao, Y.; Wang, Y.; Yao, X.; Zhang, X.; Liu, M.; Hu, Z.; Fan, B., The prediction for gas chromatographic retention index of disulfides on stationary phases of different polarity, Talanta, 2003, 59, 2, 229-237, https://doi.org/10.1016/S0039-9140(02)00500-3 . [all data]

Lermusieau, Bulens, et al., 2001
Lermusieau, G.; Bulens, M.; Collin, S., Use of GC-olfactometry to identify the hop aromatic compounds in beer, J. Agric. Food Chem., 2001, 49, 8, 3867-3874, https://doi.org/10.1021/jf0101509 . [all data]

Gijs, Piraprez, et al., 2000
Gijs, L.; Piraprez, G.; Perpète, P.; Spinnler, E.; Collin, S., Retention of sulfur flavours by food matrix and determination of sensorial data independent of the medium composition, Food Chem., 2000, 69, 3, 319-330, https://doi.org/10.1016/S0956-7135(99)00111-5 . [all data]

Nedjma and Maujean, 1995
Nedjma, M.; Maujean, A., Improved chromatographic analysis of volatile sulfur compounds by the static headspace technique on water-alcohol solutions and brandies with chemiluminescence detection, J. Chromatogr. A, 1995, 704, 2, 495-502, https://doi.org/10.1016/0021-9673(95)00218-C . [all data]

van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N., Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety, J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7 . [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]

Golovnya, Misharina, et al., 1983
Golovnya, R.V.; Misharina, T.A.; Garbuzov, V.G.; Medvedyev, F.A., Volatile sulfur containing compounds in simulated meat flavour and their comparison with the constituents of natural aroma, Nahrung, 1983, 27, 3, 237-249, https://doi.org/10.1002/food.19830270314 . [all data]

Chin, Nazimah, et al., 2007
Chin, S.T.; Nazimah, S.A.H.; Quek, S.Y.; Che Man, Y.B.; Rahman, R.A.; Hashim, D.M., Analysis of volatile compounds from Malaysian durians (Durio zibethinus) using headspace SPME coupled to fast GC-MS, J. Food Comp. Anal., 2007, 20, 1, 31-44, https://doi.org/10.1016/j.jfca.2006.04.011 . [all data]

Narain, Almeida, et al., 2004
Narain, N.; Almeida, J.N.; Galvão, M.S.; Madruga, M.S.; de Brito, E.S., Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique, Cienc. Tecnol. Aliment. Campinas, 2004, 24, 2, 212-216, https://doi.org/10.1590/S0101-20612004000200009 . [all data]

Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J., Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits, J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s . [all data]


Notes

Go To: Top, Phase change data, Gas Chromatography, References