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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
Deltafgas-373. ± 3.kJ/molCcbBusfield, Mackle, et al., 1961Heat of formation derived by Cox and Pilcher, 1970

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-446.4kJ/molCmDouglas, 1946At 291°K; ALS
Quantity Value Units Method Reference Comment
Deltafsolid-449.82 ± 0.59kJ/molCcbBusfield, Mackle, et al., 1961Heat of formation derived by Cox and Pilcher, 1970; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1796.7 ± 0.50kJ/molCcbBusfield, Mackle, et al., 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -1792.0 ± 0.3 kJ/mol; Heat of formation derived by Cox and Pilcher, 1970; ALS
Quantity Value Units Method Reference Comment
solid,1 bar145.48J/mol*KN/AClever and Westrum, 1970DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
125.35298.15Clever and Westrum, 1970T = 5 to 410 K.; DH

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:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil511.KN/ALee, 1986Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Tfus382. ± 3.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple382.KN/AClever and Westrum, 1970, 2Uncertainty assigned by TRC = 0.06 K; TRC
Ttriple382.01KN/AClever and Westrum, 1970, 2Uncertainty assigned by TRC = 0.04 K; TRC
Quantity Value Units Method Reference Comment
Deltasub77. ± 3.kJ/molVBusfield, Mackle, et al., 1961Heat of formation derived by Cox and Pilcher, 1970; ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
56.0404.AStephenson and Malanowski, 1987Based on data from 387. - 523. K. See also Dykyj, 1970 and Dykyj, Svoboda, et al., 1999.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
18.301382.01Clever and Westrum, 1970DH
18.28382.Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
47.91382.01Clever and Westrum, 1970DH

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:


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
Deltar1531. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1533. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1499. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1502. ± 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
Deltar243.3 ± 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+) bullet Dimethyl sulfone)

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

Quantity Value Units Method Reference Comment
Deltar203.kJ/molCIDCBuncel, Decouzon, et al., 1997RCD

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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Mass 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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.

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]

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]

Clever and Westrum, 1970
Clever, H.L.; Westrum, E.F., Jr., Dimethylsulfoxide and dimethylsulfone. Heat capacities, enthalpies of fusion, and thermodynamic properties, J. Phys. Chem., 1970, 74, 1309-1317. [all data]

Lee, 1986
Lee, F.-M., Use of Organic Sulfones as the Extractive Distillation SOlvent for Aromatic Recovery, Ind. Eng. Chem. Process Des. Dev., 1986, 25, 949-57. [all data]

Clever and Westrum, 1970, 2
Clever, H.L.; Westrum, E.F., Dimethyl sulfoxide and dimethyl sulfone. Heat capacities, enthalpies of fusion, and thermodynamic properties., J. Phys. Chem., 1970, 74, 1309. [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]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

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]

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]

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]

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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References