Dimethyl sulfide

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Condensed phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-65.4 ± 1.5kJ/molCcbVoronkov, Klyuchnikov, et al., 1989 
Δfliquid-65.44 ± 0.59kJ/molCcrMcCullough, Hubbard, et al., 1957 
Δfliquid-60.2kJ/molCmDouglas, 1946At 291°K
Quantity Value Units Method Reference Comment
Δcliquid-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

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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 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
ρc4.972mol/lN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.03 mol/l; TRC
ρc4.84mol/lN/AHerz and Neukirch, 1923Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap27.8 ± 0.3kJ/molAVGN/AAverage of 8 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
27.310.5N/AMajer and Svoboda, 1985 
28.9283.AStephenson and Malanowski, 1987Based on data from 268. to 319. K.; AC
27.7322.AStephenson and Malanowski, 1987Based on data from 307. to 379. K.; AC
26.6387.AStephenson and Malanowski, 1987Based on data from 372. to 453. K.; AC
26.7462.AStephenson and Malanowski, 1987Based on data from 447. to 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. to 318. K.; AC
28.9278.N/AOsborne, Doescher, et al., 1942, 2Based on data from 251. to 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) β Tc (K) Reference Comment
276. to 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 to 293.244.287131201.134-29.906Osborne, Doescher, et al., 1942, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (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:


Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Phase change 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C2H6S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.69 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)830.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity801.2kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.6PECarnovale, Livett, et al., 1983LBLHLM
8.72PEKimura, Katsumata, et al., 1981LLK
8.5 ± 0.1PEAue, Webb, et al., 1980LLK
8.6PEAue and Bowers, 1979LLK
8.687SMcDiarmid, 1974LLK
8.706 ± 0.010SScott, Causley, et al., 1973LLK
8.67PEMollere, Bock, et al., 1973LLK
8.57 ± 0.04PEBunzli, Frost, et al., 1973LLK
8.7PESchafer and Schweig, 1972LLK
8.69 ± 0.01PIAkopyan, Sergeev, et al., 1970RDSH
8.68 ± 0.03PECullen, Frost, et al., 1969RDSH
8.7 ± 0.1EIKeyes and Harrson, 1968RDSH
8.685 ± 0.005PIWatanabe, Nakayama, et al., 1962RDSH
8.67PEChang, Young, et al., 1986Vertical value; LBLHLM
8.7PECarnovale, Livett, et al., 1983Vertical value; LBLHLM
8.7PEAue and Bowers, 1979Vertical value; LLK
8.71PEKobayashi, 1978Vertical value; LLK
8.71PEKobayashi, 1978, 2Vertical value; LLK
8.67PEWagner and Bock, 1974Vertical value; LLK
8.65PESchweig and Thiel, 1974Vertical value; LLK
8.65PEFrost, Herring, et al., 1972Vertical value; LLK
8.71PECradock and Whiteford, 1972Vertical value; LLK
8.67PEBock, Wagner, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+14.0 ± 0.1CH4+HPIErmolenko, Akopyan, et al., 1983LBLHLM
CHS+14.16 ± 0.08?EICullen, Frost, et al., 1970RDSH
CH2S+10.5 ± 0.1CH4PIErmolenko, Akopyan, et al., 1983LBLHLM
CH2S+10.97 ± 0.13?EICullen, Frost, et al., 1970RDSH
CH2S+10.46 ± 0.08CH4PIAkopyan, Sergeev, et al., 1970RDSH
CH3+13.0?EIGowenlock, Kay, et al., 1963RDSH
CH3S+10.8 ± 0.1CH3PIErmolenko, Akopyan, et al., 1983LBLHLM
CH3S+10.79 ± 0.04CH3PIAkopyan, Sergeev, et al., 1970RDSH
CH3S+11.1 ± 0.1CH3EIKeyes and Harrson, 1968RDSH
C2H3+14.1 ± 0.1H2S+HPIErmolenko, Akopyan, et al., 1983LBLHLM
C2H3+14.7?EIGowenlock, Kay, et al., 1963RDSH
C2H5S+10.85 ± 0.15HPIErmolenko, Akopyan, et al., 1983LBLHLM
C2H5S+10.93 ± 0.02HPIAkopyan, Sergeev, et al., 1970RDSH
C2H5S+11.5 ± 0.1HEIKeyes and Harrson, 1968RDSH
C2H5S+11.2 ± 0.1HEITaft, Martin, et al., 1965RDSH
H2S+14.29 ± 0.04?EICullen, Frost, et al., 1970RDSH
H3S+13.6 ± 0.1C2H+H2PIErmolenko, Akopyan, et al., 1983LBLHLM
H3S+14.14 ± 0.02?EIHaney and Franklin, 1969RDSH

De-protonation reactions

C2H5S- + Hydrogen cation = Dimethyl sulfide

By formula: C2H5S- + H+ = C2H6S

Quantity Value Units Method Reference Comment
Δr1633. ± 6.3kJ/molD-EAMoran and Ellison, 1988gas phase; B
Δr1645. ± 8.8kJ/molG+TSIngemann and Nibbering, 1985gas phase; B
Quantity Value Units Method Reference Comment
Δr1602. ± 7.1kJ/molH-TSMoran and Ellison, 1988gas phase; B
Δr1615. ± 8.4kJ/molIMREIngemann and Nibbering, 1985gas phase; B

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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

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-1477
NIST MS number 233890

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Carnovale, Livett, et al., 1983
Carnovale, F.; Livett, M.K.; Peel, J.B., Identification of the gas phase trimer (CH3)2S.(HF)2 by photoelectron spectroscopy, J. Am. Chem. Soc., 1983, 105, 6788. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Aue, Webb, et al., 1980
Aue, D.H.; Webb, H.M.; Davidson, W.R.; Vidal, M.; Bowers, M.T.; Goldwhite, H.; Vertal, L.E.; Douglas, J.E.; Kollman, P.A.; Kenyon, G.L., Proton affinities photoelectron spectra of three-membered-ring J. Heterocycl. Chem., J. Am. Chem. Soc., 1980, 102, 5151. [all data]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

McDiarmid, 1974
McDiarmid, R., Assignments of Rydberg and valence transitions in the electronic absorption spectrum of dimethyl sulfide, J. Chem. Phys., 1974, 61, 274. [all data]

Scott, Causley, et al., 1973
Scott, J.D.; Causley, G.C.; Russell, B.R., Vacuum ultraviolet absorption spectra of dimethylsulfide, dimethylselenide, and dimethyltelluride, J. Chem. Phys., 1973, 59, 6577. [all data]

Mollere, Bock, et al., 1973
Mollere, P.; Bock, H.; Becker, G.; Fritz, G., Photoelectron spectra and molecular properties. XXI. Dimethyl sulfide, methyl silyl sulfide, and disilyl sulfide, J. Organomet. Chem., 1973, 61, 127. [all data]

Bunzli, Frost, et al., 1973
Bunzli, J.C.; Frost, D.C.; Weiler, L., Photoelectron spectrum of 7-thiabicyclo[2.2.1]heptane, J. Am. Chem. Soc., 1973, 95, 7880. [all data]

Schafer and Schweig, 1972
Schafer, W.; Schweig, A., Evidence against the significance of C-S hyperconjugation in determining the conformation of allyl methyl sulphide, J. Chem. Soc., Chem. Commun., 1972, 824. [all data]

Akopyan, Sergeev, et al., 1970
Akopyan, M.E.; Sergeev, Yu.L.; Vilesov, F.I., Photionization in vapors of aliphatic sulfides. I. Methymercaptan, dimethyl and diethyl sulfides, High Energy Chem., 1970, 4, 265, In original 305. [all data]

Cullen, Frost, et al., 1969
Cullen, W.R.; Frost, D.C.; Vroom, D.A., Ionization potentials of some sulfur compounds, Inorg. Chem., 1969, 8, 1803. [all data]

Keyes and Harrson, 1968
Keyes, B.G.; Harrson, A.G., The fragmentation of aliphatic sulfur compounds by electron impact, J. Am. Chem. Soc., 1968, 90, 5671. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Chang, Young, et al., 1986
Chang, F.C.; Young, V.Y.; Prather, J.W.; Cheng, K.L., Study of methyl chalcogen compounds with ultraviolet photoelectron spectroscopy, J. Electron Spectrosc. Relat. Phenom., 1986, 40, 363. [all data]

Kobayashi, 1978
Kobayashi, T., A new rule for photoelectron angular distributions of molecules, Phys. Lett. A, 1978, 69, 31. [all data]

Kobayashi, 1978, 2
Kobayashi, T., A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes, Phys. Lett., 1978, 69, 105. [all data]

Wagner and Bock, 1974
Wagner, G.; Bock, H., Photoelektronenspektren und molekuleigenschaften, XXVI. Die delokalisation von schwefel-elektronenpaaren in alkylsulfiden und -disulfiden, Chem. Ber., 1974, 107, 68. [all data]

Schweig and Thiel, 1974
Schweig, A.; Thiel, W., Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds, Mol. Phys., 1974, 27, 265. [all data]

Frost, Herring, et al., 1972
Frost, D.C.; Herring, F.G.; Katrib, A.; McDowell, C.A.; McLean, R.A.N., Photoelectron spectra of CH3SH, (CH3)2S, C6H5SH, and C6H5CH2SH; the bonding between sulfur and carbon, J. Phys. Chem., 1972, 76, 1030. [all data]

Cradock and Whiteford, 1972
Cradock, S.; Whiteford, R.A., Photoelectron spectra of the methyl, silyl and germyl derivatives of the group VI elements, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 281. [all data]

Bock, Wagner, et al., 1972
Bock, H.; Wagner, G.; Kroner, J., Photoelektronenspektren und molekuleigenschaften, XIV. Die delokalisation des schwefel-elektronenpaar in CH3S-substituierten aromaten, Chem. Ber., 1972, 105, 3850. [all data]

Ermolenko, Akopyan, et al., 1983
Ermolenko, A.I.; Akopyan, M.E.; Sergeev, Y.L., Decomposition of dimethyl sulfide molecular ions. Randomization of states during photoionization dissociation of molecules, High Energy Chem., 1983, 17, 25. [all data]

Cullen, Frost, et al., 1970
Cullen, W.R.; Frost, D.C.; Pun, M.T., Mass spectra, appearance potentials, heats of formation, and bond energies of some alkyl and perfluoroalkyl sulfides, Inorg. Chem., 1970, 9, 1976. [all data]

Gowenlock, Kay, et al., 1963
Gowenlock, B.G.; Kay, J.; Majer, J.R., Electron impact studies of some sulphides and disulphides, J. Chem. Soc. Faraday Trans., 1963, 59, 2463. [all data]

Taft, Martin, et al., 1965
Taft, R.W.; Martin, R.H.; Lampe, F.W., Stabilization energies of substituted methyl cations. The effect of strong demand on the resonance order, J. Am. Chem. Soc., 1965, 87, 2490. [all data]

Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L., Heats of formation of H3O+, H3S+, and NH4+ by electron impact, J. Chem. Phys., 1969, 50, 2028. [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]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References