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
Δfgas-37.5 ± 2.0kJ/molCcbVoronkov, Klyuchnikov, et al., 1989ALS
Δfgas-37.6 ± 0.59kJ/molCcrMcCullough, Hubbard, et al., 1957ALS
Δfgas-32.4kJ/molN/ADouglas, 1946Value computed using ΔfHliquid° value of -60.2 kj/mol from Douglas, 1946 and ΔvapH° value of 27.8 kj/mol from McCullough, Hubbard, et al., 1957.; DRB

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
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

C2H7S+ + Dimethyl sulfide = (C2H7S+ • Dimethyl sulfide)

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

Quantity Value Units Method Reference Comment
Δr110.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; ΔrH?, inconsistent with other protonated sulfur dimers; M
Quantity Value Units Method Reference Comment
Δr119.J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; ΔrH?, inconsistent with other protonated sulfur dimers; M

C2H6S+ + Dimethyl sulfide = (C2H6S+ • Dimethyl sulfide)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr112.kJ/molDTDeng, Illies, et al., 1995gas phase; ΔrH(0K) = 115. kJ/mol; M
Quantity Value Units Method Reference Comment
Δr111.J/mol*KDTDeng, Illies, et al., 1995gas phase; ΔrH(0K) = 115. kJ/mol; M

C4H9+ + Dimethyl sulfide = (C4H9+ • Dimethyl sulfide)

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

Quantity Value Units Method Reference Comment
Δr185.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; condensation; M
Quantity Value Units Method Reference Comment
Δr178.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
Δr-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+) • Dimethyl sulfide)

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

Quantity Value Units Method Reference Comment
Δr137.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+) • Dimethyl sulfide)

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

Free energy of reaction

ΔrG° (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
Δr-28. ± 4.6kJ/molKinShum and Benson, 1985gas phase; ALS

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.483100.MN/A 
0.080 EN/ACalculated molecular structure relationship.
0.483500.XN/AValue given here as quoted by missing citation.
0.563500.MN/A 
0.62 XN/AValue given here as quoted by missing citation.
0.44 CN/A missing citation refer to an unpublished manuscript; no details are available. Solubility in sea water.
0.563700.MN/A 
0.61 MN/AValue at T = 293. K.
0.70 RN/AValue at T = 293. K.
0.16 MN/A 
0.55 VN/A 

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, 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]

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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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, Reaction thermochemistry data, Henry's Law data, References