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Dimethyl sulfide

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-37.5 ± 2.0kJ/molCcbVoronkov, Klyuchnikov, et al., 1989ALS
Deltafgas-37.6 ± 0.59kJ/molCcrMcCullough, Hubbard, et al., 1957ALS
Deltafgas-32.4kJ/molN/ADouglas, 1946Value computed using «DELTA»fHliquid° value of -60.2 kj/mol from Douglas, 1946 and «DELTA»vapH° value of 27.8 kj/mol from McCullough, Hubbard, et al., 1957.; DRB

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

Quantity Value Units Method Reference Comment
Deltafliquid-65.4 ± 1.5kJ/molCcbVoronkov, Klyuchnikov, et al., 1989 
Deltafliquid-65.44 ± 0.59kJ/molCcrMcCullough, Hubbard, et al., 1957 
Deltafliquid-60.2kJ/molCmDouglas, 1946At 291°K
Quantity Value Units Method Reference Comment
Deltacliquid-2181.5 ± 0.3kJ/molCcrMcCullough, Hubbard, et al., 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -2180.2 ± 0.3 kJ/mol

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
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.

Quantity Value Units Method Reference Comment
Tboil311. ± 3.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus174.88KN/AHaines, Helm, et al., 1956Uncertainty assigned by TRC = 0.06 K; TRC
Tfus174.90KN/AMcallan, Cullum, et al., 1951Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Ttriple174.85KN/AOsborne, Doescher, et al., 1942Uncertainty assigned by TRC = 0.03 K; TRC
Quantity Value Units Method Reference Comment
Tc503.KN/AMajer and Svoboda, 1985 
Tc503.0KN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.4 K; by disappearance of meniscus; TRC
Tc503.0KN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.4 K; by apperanance of turbidity; TRC
Quantity Value Units Method Reference Comment
Pc55.30barN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.4053 bar; vapor pressure at Tc; TRC
Quantity Value Units Method Reference Comment
rhoc4.972mol/lN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.03 mol/l; TRC
rhoc4.84mol/lN/AHerz and Neukirch, 1923Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap27.8 ± 0.3kJ/molAVGN/AAverage of 8 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
27.310.5N/AMajer and Svoboda, 1985 
28.9283.AStephenson and Malanowski, 1987Based on data from 268. - 319. K.; AC
27.7322.AStephenson and Malanowski, 1987Based on data from 307. - 379. K.; AC
26.6387.AStephenson and Malanowski, 1987Based on data from 372. - 453. K.; AC
26.7462.AStephenson and Malanowski, 1987Based on data from 447. - 503. K.; AC
28.8 ± 0.1276.CMcCullough, Hubbard, et al., 1957AC
27.9 ± 0.1292.CMcCullough, Hubbard, et al., 1957AC
27.0 ± 0.1310.CMcCullough, Hubbard, et al., 1957AC
28.2302.EBWhite, Barnard--Smith, et al., 1952Based on data from 287. - 318. K.; AC
28.9278.N/AOsborne, Doescher, et al., 1942, 2Based on data from 251. - 293. K.; AC
28.9310.N/AThompson and Linnett, 1935AC

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) beta Tc (K) Reference Comment
276. - 311.41.540.2731503.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
250.60 - 293.244.287131201.134-29.906Osborne, Doescher, et al., 1942, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
7.98174.9Domalski and Hearing, 1996AC

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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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

C2H5S- + Hydrogen cation = Dimethyl sulfide

By formula: C2H5S- + H+ = C2H6S

Quantity Value Units Method Reference Comment
Deltar1633. ± 6.3kJ/molD-EAMoran and Ellison, 1988gas phase; B
Deltar1645. ± 8.8kJ/molG+TSIngemann and Nibbering, 1985gas phase; B
Quantity Value Units Method Reference Comment
Deltar1602. ± 7.1kJ/molH-TSMoran and Ellison, 1988gas phase; B
Deltar1615. ± 8.4kJ/molIMREIngemann and Nibbering, 1985gas phase; B

C2H7S+ + Dimethyl sulfide = (C2H7S+ bullet Dimethyl sulfide)

By formula: C2H7S+ + C2H6S = (C2H7S+ bullet C2H6S)

Quantity Value Units Method Reference Comment
Deltar110.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; «DELTA»rH?, inconsistent with other protonated sulfur dimers; M
Quantity Value Units Method Reference Comment
Deltar119.J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; «DELTA»rH?, inconsistent with other protonated sulfur dimers; M

C2H6S+ + Dimethyl sulfide = (C2H6S+ bullet Dimethyl sulfide)

By formula: C2H6S+ + C2H6S = (C2H6S+ bullet C2H6S)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar112.kJ/molDTDeng, Illies, et al., 1995gas phase; «DELTA»rH(0K) = 115. kJ/mol; M
Quantity Value Units Method Reference Comment
Deltar111.J/mol*KDTDeng, Illies, et al., 1995gas phase; «DELTA»rH(0K) = 115. kJ/mol; M

C4H9+ + Dimethyl sulfide = (C4H9+ bullet Dimethyl sulfide)

By formula: C4H9+ + C2H6S = (C4H9+ bullet C2H6S)

Quantity Value Units Method Reference Comment
Deltar185.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; condensation; M
Quantity Value Units Method Reference Comment
Deltar178.J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; condensation; M

2Dimethyl sulfide + Oxygen = 2Dimethyl Sulfoxide

By formula: 2C2H6S + O2 = 2C2H6OS

Quantity Value Units Method Reference Comment
Deltar-277.7 ± 0.84kJ/molCmDouglas, 1946liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -278.3 ± 0.8 kJ/mol; At 291°K; ALS

Lithium ion (1+) + Dimethyl sulfide = (Lithium ion (1+) bullet Dimethyl sulfide)

By formula: Li+ + C2H6S = (Li+ bullet C2H6S)

Quantity Value Units Method Reference Comment
Deltar137.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M

Sodium ion (1+) + Dimethyl sulfide = (Sodium ion (1+) bullet Dimethyl sulfide)

By formula: Na+ + C2H6S = (Na+ bullet C2H6S)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
59.4298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

Hydrogen iodide + Iodomethyl methyl sulfide = Dimethyl sulfide + Iodine

By formula: HI + C2H5IS = C2H6S + I2

Quantity Value Units Method Reference Comment
Deltar-28. ± 4.6kJ/molKinShum and Benson, 1985gas phase; ALS

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin WYANDOTTE CHEMICALS CORP.
Source reference COBLENTZ NO. 05969
Date Not specified, most likely prior to 1970
Name(s) dimethyl sulfide
(methylsulfanyl)methane
State LIQUID
Instrument BAIRD (GRATING)
Instrument parameters NaCl PRISM
Path length 0.005 CM
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY
Boiling point 37-38 C

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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-1477
NIST MS number 233890

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.

Voronkov, Klyuchnikov, et al., 1989
Voronkov, M.G.; Klyuchnikov, V.A.; Kolabin, S.N.; Shvets, G.N.; Varusin, P.I.; Deryagina, E.N.; Korchevin, N.A.; Tsvetnitskaya, S.I., Thermochemical properties of diorganyl chalcogenides and dichalcogenides RMnR(M = S, Se, Te; n = 1, 2)., Dokl. Phys. Chem. (Engl. Transl.), 1989, 307, 650-653, In original 1139. [all data]

McCullough, Hubbard, et al., 1957
McCullough, J.P.; Hubbard, W.N.; Frow, F.R.; Hossenlopp, I.A.; Waddington, G., Ethanethiol and 2-thiapropane: Heats of formation and isomerization; the chemical thermodynamic properties from 0 to 1000°K, J. Am. Chem. Soc., 1957, 79, 561-566. [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]

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

Haines, Helm, et al., 1956
Haines, W.E.; Helm, R.V.; Cook, G.L.; Ball, J.S., Purification and Properties of Organic Sulfur Compounds, J. Phys. Chem., 1956, 60, 549-55. [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]

Osborne, Doescher, et al., 1942
Osborne, D.W.; Doescher, R.N.; Yost, D.M., The heat capacity, heats of fusion and vaporization, vapor pressure and entropy of dimethyl sulfide., J. Am. Chem. Soc., 1942, 64, 169-72. [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]

Berthoud and Brum, 1924
Berthoud, A.; Brum, R., Physical Properties of Some Organic Compounds., J. Chim. Phys. Phys.-Chim. Biol., 1924, 21, 143-60. [all data]

Herz and Neukirch, 1923
Herz, W.; Neukirch, E., On Knowldge of the Critical State, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1923, 104, 433-50. [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]

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]

Osborne, Doescher, et al., 1942, 2
Osborne, D.W.; Doescher, R.N.; Yost, D.M., The heat capacity, heats of fusion and vaporization, vapor pressure and entropy of dimethyl sulfide, J. Am. Chem. Soc., 1942, 64, 169-172. [all data]

Thompson and Linnett, 1935
Thompson, H.W.; Linnett, J.W., The vapour pressures of some alkyl sulphides, Trans. Faraday Soc., 1935, 31, 1743, https://doi.org/10.1039/tf9353101743 . [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]

Moran and Ellison, 1988
Moran, S.; Ellison, G.B., Photoelectron Spectroscopy of Sulfur Ions, J. Phys. Chem., 1988, 92, 7, 1794, https://doi.org/10.1021/j100318a021 . [all data]

Ingemann and Nibbering, 1985
Ingemann, S.; Nibbering, N.M.M., Gas phase chemistry of alpha-thio carbanions, Can. J. Chem., 1985, 62, 2273. [all data]

Meot-Ner (Mautner) and Sieck, 1985
Meot-Ner (Mautner), M.; Sieck, L.W., The Ionic Hydrogen Bond and Ion Solvation. 4. SH+ O and NH+ S Bonds. Correlations with Proton Affinity. Mutual Effects of Weak and Strong Ligands in Mixed Clusters, J. Phys. Chem., 1985, 89, 24, 5222, https://doi.org/10.1021/j100270a021 . [all data]

Deng, Illies, et al., 1995
Deng, Y.; Illies, A.J.; James, M.A.; McKee, M.L.; Peschke, M., A Definitive Investigation of the Gas-Phase Two-Center Three-electron Bond in [H2S:SH2+], [Me2S:SMe2]+, and [Et2S:SEt2]+: Therory and Experiment, J. Am. Chem. Soc., 1995, 117, 1, 420, https://doi.org/10.1021/ja00106a048 . [all data]

Meot-Ner (Mautner) and Sieck, 1991
Meot-Ner (Mautner), M.; Sieck, L.W., Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range, J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012 . [all data]

Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Shum and Benson, 1985
Shum, L.G.S.; Benson, S.W., Iodine catalyzed pyrolysis of dimethyl sulfide. Heats of formaton of CH3SCH2I, the CH3SCH2 radical, and the pibond energy in CH2S, Int. J. Chem. Kinet., 1985, 17, 277-292. [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