Dimethyl sulfone

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Gas 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

Quantity Value Units Method Reference Comment
Δfgas-373. ± 3.kJ/molCcbBusfield, Mackle, et al., 1961Heat of formation derived by Cox and Pilcher, 1970

Reaction 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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C2H5O2S- + Hydrogen cation = Dimethyl sulfone

By formula: C2H5O2S- + H+ = C2H6O2S

Quantity Value Units Method Reference Comment
Δr1531. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1533. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr1499. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1502. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

Dimethyl sulfone = Dimethyl Sulfoxide + 0.5Oxygen

By formula: C2H6O2S = C2H6OS + 0.5O2

Quantity Value Units Method Reference Comment
Δr243.3 ± 0.84kJ/molCmDouglas, 1946liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 246.9 ± 0.8 kJ/mol; At 291°K; ALS

Lithium ion (1+) + Dimethyl sulfone = (Lithium ion (1+) • Dimethyl sulfone)

By formula: Li+ + C2H6O2S = (Li+ • C2H6O2S)

Quantity Value Units Method Reference Comment
Δr203.kJ/molCIDCBuncel, Decouzon, et al., 1997RCD

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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
10.65PESolouki, Bock, et al., 1975Vertical value; LLK
10.80PEMuller and Schweig, 1973Vertical value; LLK
10.65PESolouki, Bock, et al., 1972Vertical value; LLK
10.97PEMines, Thomas, et al., 1972Vertical value; LLK

De-protonation reactions

C2H5O2S- + Hydrogen cation = Dimethyl sulfone

By formula: C2H5O2S- + H+ = C2H6O2S

Quantity Value Units Method Reference Comment
Δr1531. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1533. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr1499. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1502. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

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: Robert C. Dunbar

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

Lithium ion (1+) + Dimethyl sulfone = (Lithium ion (1+) • Dimethyl sulfone)

By formula: Li+ + C2H6O2S = (Li+ • C2H6O2S)

Quantity Value Units Method Reference Comment
Δr203.kJ/molCIDCBuncel, Decouzon, et al., 1997 

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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

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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 Japan AIST/NIMC Database- Spectrum MS-NW-5085
NIST MS number 229649

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Gas Chromatography

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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

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M160.1900.Huber, Kenndler, et al., 1993Column length: 10. m; Phase thickness: 1.33 μm
CapillaryPEG-20M180.1913.Huber, Kenndler, et al., 1993Column length: 10. m; Phase thickness: 1.33 μm
CapillaryPEG-20M130.1881.4Huber, Kenndler, et al., 1993Column length: 10. m; Phase thickness: 1.33 μm

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

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Column type Active phase I Reference Comment
CapillaryDB-5MS919.Cho, Namgung, et al., 200830. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min, 200. C @ 10. min
CapillarySPB-5915.Engel and Ratel, 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
CapillaryDB-5926.Moio, Piombino, et al., 200030. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-5925.Madruga and Mottram, 199830. m/0.32 mm/1. μm, 60. C @ 5. min, 4. K/min, 250. C @ 20. min
CapillaryDB-5926.Moio L., Rillo L., et al., 199630. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-5924.Moio L., Rillo L., et al., 199630. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-5921.6D'Agostino and Provost, 198515. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min; Tend: 300. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS914.9Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1912.Cho, Namgung, et al., 200830. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min, 200. C @ 10. min
CapillaryDB-Wax1895.Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min
CapillaryDB-Wax1912.Cho, Choi, et al., 200660. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min, 200. C @ 10. min
CapillaryDB-Wax1908.Cho, Choi, et al., 200660. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min, 200. C @ 10. min
CapillarySupelcowax-101906.Chung, Yung, et al., 200260. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-5912.Cais-Sokolinska, Majcher, et al., 201125. m/0.20 mm/0.33 μm, Helium, 50. C @ 1. min, 20. K/min; Tend: 240. C
CapillarySPB-5916.Sivadier, Ratel, et al., 200960. m/0.32 mm/1.00 μm, 40. C @ 5. min, 3. K/min, 230. C @ 10. min
CapillarySPB-5911.Sebastian, Viallon-Fernandez, et al., 200360. m/0.32 mm/1.0 μm, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C
CapillaryUltra-2924.King, Matthews, et al., 199550. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min
CapillaryUltra-2915.King, Hamilton, et al., 199350. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min
CapillaryDB-5926.Moio, Dekimpe, et al., 199330. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-5924.Moio, Langlois, et al., 199330. m/0.32 mm/1. μm, H2, 40. C @ 5. min, 5. K/min; Tend: 220. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-5 MS931.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0C
CapillaryRTX-5 MS925.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySPB-5909.Begnaud, Pérès, et al., 200360. m/0.32 mm/1. μm; Program: not specified
CapillaryDB-5MS918.Young, Lane, et al., 200330. m/0.25 mm/1. μm; Program: 50C => 3C/min => 160C => 6C/min => 250C => 25C/min => 325C

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1914.Povolo, Contarini, et al., 200760. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
CapillaryCP-Wax 52CB1911.Povolo, Contarini, et al., 200760. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
CapillaryRTX-Wax1895.Prososki, Etzel, et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-FFAP1887.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C
CapillaryDB-FFAP1890.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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.

Busfield, Mackle, et al., 1961
Busfield, W.K.; Mackle, H.; O'Hare, P.A.G., Studies in the thermochemistry of sulphones. Part 2 - The standard heats of formation of sulphones of the type RSO2CH3, Trans. Faraday Soc., 1961, 57, 1054-1057. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

Douglas, 1946
Douglas, T.B., Heats of formation of liquid methyl sulfoxide and crystalline methyl sulfone at 18°, J. Am. Chem. Soc., 1946, 68, 1072-1076. [all data]

Buncel, Decouzon, et al., 1997
Buncel, E.; Decouzon, M.; Formento, A.; Gal, J.-F.; Herreros, M.; Li, L.; Maria, P.-C., Lithium-Cation and Proton Affinities of Sulfoxides and Sulfones: A Fourier Transform Ion Cyclotron Resonance Study, J. Am. Soc. Mass Spectrom., 1997, 8, 3, 262, https://doi.org/10.1016/S1044-0305(96)00255-3 . [all data]

Solouki, Bock, et al., 1975
Solouki, B.; Bock, H.; Appel, R., Photoelektronenspektren und Molekuleigenschaften, XLV Schwefelsaure-Derivate X2SY2: Alkyl-, Vinyl- und Arylsulfone, Alkylsulfoimide und Sulfurylhalogenide, Chem. Ber., 1975, 108, 897. [all data]

Muller and Schweig, 1973
Muller, C.; Schweig, A., Konjugation in Sulfonen, Tetrahedron, 1973, 29, 3973. [all data]

Solouki, Bock, et al., 1972
Solouki, B.; Bock, H.; Appel, R., Sequence of orbitals in sulfones and sulfodiimides, Angew. Chem. Int. Ed. Engl., 1972, 11, 927. [all data]

Mines, Thomas, et al., 1972
Mines, G.W.; Thomas, R.K.; Thompson, H., Photoelectron spectra of compounds containing thionyl and sulphuryl groups, Proc. R. Soc. London A:, 1972, 329, 275. [all data]

Huber, Kenndler, et al., 1993
Huber, J.F.K.; Kenndler, E.; Reich, G.; Hack, W.; Wolf, J., Optimal Selection of Gas Chromatographic Columns for the Analytical Control of Chemical Warfare Agents by Application of Information Theory to Retention Data, Anal. Chem., 1993, 65, 20, 2903-2906, https://doi.org/10.1021/ac00068a031 . [all data]

Cho, Namgung, et al., 2008
Cho, I.H.; Namgung, H.-J.; Choi, H.-K.; Kim, Y.-S., Volatiles and key odorants in the pileus and stipe of pine-mushroom (Tricholoma matsutake Sing.), Food Chem., 2008, 106, 1, 71-76, https://doi.org/10.1016/j.foodchem.2007.05.047 . [all data]

Engel and Ratel, 2007
Engel, E.; Ratel, J., Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication, J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012 . [all data]

Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F., Odour-impact compounds of Gorgonzola cheese, J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106 . [all data]

Madruga and Mottram, 1998
Madruga, M.S.; Mottram, D.S., The effect of pH on the formation of volatile compounds produced by heating a model system containing 5'-imp and cysteine, J. Braz. Chem. Soc., 1998, 9, 3, 261-271, https://doi.org/10.1590/S0103-50531998000300010 . [all data]

Moio L., Rillo L., et al., 1996
Moio L.; Rillo L.; Ledda A.; Addeo F., Odorous constituents of ovine milk in relationship to diet, J. Dairy Sci., 1996, 79, 8, 1322-1331, https://doi.org/10.3168/jds.S0022-0302(96)76488-3 . [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]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N., Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes, J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y . [all data]

Cho, Choi, et al., 2006
Cho, I.H.; Choi, H.-K.; Kim, Y.-S., Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades, J. Agric. Food Chem., 2006, 54, 13, 4820-4825, https://doi.org/10.1021/jf0601416 . [all data]

Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S., Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry, Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7 . [all data]

Cais-Sokolinska, Majcher, et al., 2011
Cais-Sokolinska, D.; Majcher, M.; Pikul, J.; Bielinska, S.; Czauderma, M.; Wojtowski, J., The effect of Camelia sativa cake diet supplementation on sensory and volatile profiles of ewe's milk, African J. Biotechnol., 2011, 10, 37, 7245-7252. [all data]

Sivadier, Ratel, et al., 2009
Sivadier, G.; Ratel, J.; Engel, E., Latency and persistence of diet volatile biomarkers in lamb fats, J. Agric. Food Chem., 2009, 57, 2, 645-652, https://doi.org/10.1021/jf802467q . [all data]

Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L., Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding, Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511 . [all data]

King, Matthews, et al., 1995
King, M.-F.; Matthews, M.A.; Rule, D.C.; Field, R.A., Effect of beef packaging method on volatile compounds developed by oven roasting or microwave cooking, J. Agric. Food Chem., 1995, 43, 3, 773-778, https://doi.org/10.1021/jf00051a039 . [all data]

King, Hamilton, et al., 1993
King, M.-F.; Hamilton, B.L.; Matthews, M.A.; Rule, D.C.; Field, R.A., Isolation and identification of volatiles and condensable material in raw beef with supercritical carbon dioxide extraction, J. Agric. Food Chem., 1993, 41, 11, 1974-1981, https://doi.org/10.1021/jf00035a030 . [all data]

Moio, Dekimpe, et al., 1993
Moio, L.; Dekimpe, J.; Etievant, P.; Addeo, F., Neutral volatile compounds in the raw milks from different species, J. Dairy Res., 1993, 60, 2, 199-213, https://doi.org/10.1017/S0022029900027515 . [all data]

Moio, Langlois, et al., 1993
Moio, L.; Langlois, D.; Etievant, P.; Addeo, F., Powerful odorants in bovine, ovine, caprine and water buffalo milk determined by means of gas chromatography-olfactometry, J. Dairy Res., 1993, 60, 02, 215-222, https://doi.org/10.1017/S0022029900027527 . [all data]

Mebazaa, Mahmoudi, et al., 2009
Mebazaa, R.; Mahmoudi, A.; Fouchet, M.; Dos Santos, M.; Kamissoko, F.; Nafti, A.; Ben Cheikh, R.; Rega, B.; Camel, V., Characterization of volatile compounds in Tunisian fenugreek seeds, Food Chem., 2009, 115, 4, 1326-1336, https://doi.org/10.1016/j.foodchem.2009.01.066 . [all data]

Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L., Characterization of volatile effluents of livestock buildings by solid-phase microextraction, Int. J. Environ. Anal. Chem., 2003, 83, 10, 837-849, https://doi.org/10.1080/03067310310001603349 . [all data]

Young, Lane, et al., 2003
Young, O.A.; Lane, G.A.; Priolo, A.; Fraser, K., Pastoral and species flavour in lambs raised on pasture, lucerne or maize, J. Sci. Food Agric., 2003, 83, 2, 93-104, https://doi.org/10.1002/jsfa.1282 . [all data]

Povolo, Contarini, et al., 2007
Povolo, M.; Contarini, G.; Mele, M.; Secchiari, P., Study on the influence of pasture on volatile fraction of Ewes' dairy products by solid-phase microextraction and gas chromatography-mass spectrometry, J. Dairy Sci., 2007, 90, 2, 556-569, https://doi.org/10.3168/jds.S0022-0302(07)71539-4 . [all data]

Prososki, Etzel, et al., 2007
Prososki, R.A.; Etzel, M.R.; Rankin, S.A., Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder, J. Dairy Sci., 2007, 90, 2, 523-531, https://doi.org/10.3168/jds.S0022-0302(07)71535-7 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References