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Diethyl disulfide

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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
Deltafgas-74.6 ± 3.5kJ/molCcbVoronkov, Klyuchnikov, et al., 1989 
Deltafgas-74.7 ± 1.0kJ/molCcbHubbard, Douslin, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -72.9 ± 1.0 kJ/mol

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-120.0 ± 3.0kJ/molCcbVoronkov, Klyuchnikov, et al., 1989ALS
Deltafliquid-120.1 ± 1.0kJ/molCcbHubbard, Douslin, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -118.3 ± 1.0 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4087.7 ± 0.79kJ/molCcbHubbard, Douslin, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -4085.3 ± 0.79 kJ/mol; ALS
Quantity Value Units Method Reference Comment
liquid305.01J/mol*KN/AScott, Finke, et al., 1952DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
204.01298.15Scott, Finke, et al., 1952T = 13 to 300 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein 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.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil425.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil427.2KN/AWeast and Grasselli, 1989BS
Tboil427.2KN/AMajer and Svoboda, 1985 
Tboil427.KN/AMcallan, Cullum, et al., 1951Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus172.KN/AMcallan, Cullum, et al., 1951Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple171.64KN/AScott, Finke, et al., 1952, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc642.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Deltavap45.3 ± 0.4kJ/molAVGN/AAverage of 10 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
37.58427.2N/AMajer and Svoboda, 1985 
45.7302.AStephenson and Malanowski, 1987Based on data from 287. - 434. K.; AC
40.9388.EBStephenson and Malanowski, 1987Based on data from 373. - 431. K. See also Osborn and Douslin, 1966 and Scott, Finke, et al., 1952.; AC
40.9 ± 0.1373.73VScott, Finke, et al., 1952, 3ALS
41.5374.EBWhite, Barnard--Smith, et al., 1952Based on data from 359. - 433. K.; AC

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
298. - 400.60.920.2744642.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
373.71 - 434.034.099971485.97-64.192Osborn and Douslin, 1966 
273. - 353.4.31761605.244-53.643Scott, Finke, et al., 1952Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
9.4044171.64Scott, Finke, et al., 1952DH
9.4171.6Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
54.79171.64Scott, Finke, et al., 1952DH

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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

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

Diethyl disulfide + Disulfide, dimethyl = 2Methyl ethyl disulfide

By formula: C4H10S2 + C2H6S2 = 2C3H8S2

Quantity Value Units Method Reference Comment
Deltar0.0 ± 0.63kJ/molEqkHaraldson, Olander, et al., 1960liquid phase; solvent: Nonpolar solvent

Di-tert-butyl disulfide + Diethyl disulfide = 2Disulfide, 1,1-dimethylethyl ethyl

By formula: C8H18S2 + C4H10S2 = 2C6H14S2

Quantity Value Units Method Reference Comment
Deltar0.0 ± 0.2kJ/molEqkHaraldson, Olander, et al., 1960liquid phase; solvent: Nonpolar solvent

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
0.57 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species. Value at T = 293. K.
0.654000.MN/A 
0.47 MN/AValue at T = 293. K.

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
1.9LPESCarles, Lecomte, et al., 2001EA is Vertical Detachment Energy. Adiabtic EA estimated as bound, but only by ca 0.1 eV; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.30 ± 0.15EIHobrock and Kiser, 1963RDSH
8.27 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
8.77PEGuimon, Guimon, et al., 1975Vertical value; LLK
8.70PEWagner and Bock, 1974Vertical value; LLK
8.85PEBaker, Brisk, et al., 1974Vertical value; LLK
8.70PEBock, Wagner, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+16.4 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
CH2S+16.6 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
CH3S+15.5 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
CH3S2+13.8 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
CS+11.4 ± 0.3C2H5SH+CH4EIGal'perin, Bogolyubov, et al., 1969RDSH
CS2+10.0 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H+11.35?EIGowenlock, Kay, et al., 1963RDSH
C2H2+19.5 ± 0.5?EIHobrock and Kiser, 1963RDSH
C2H2S+18.6 ± 0.5?EIHobrock and Kiser, 1963RDSH
C2H3+17.2 ± 0.4?EIHobrock and Kiser, 1963RDSH
C2H3S+16.2 ± 0.3?EIHobrock and Kiser, 1963RDSH
C2H4+13.2 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H4S+11.6?EIGowenlock, Kay, et al., 1963RDSH
C2H5+14.2 ± 0.2?EIHobrock and Kiser, 1963RDSH
C2H5S+10.47?EIKeyes and Harrson, 1968RDSH
C2H5S2+11.5?EIGowenlock, Kay, et al., 1963RDSH
C2H6S+11.4 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H6S2+10.8 ± 0.3?EIHobrock and Kiser, 1963RDSH
H2S2+13.1 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
H2S2+11.9?EIGowenlock, Kay, et al., 1963RDSH
H2S2+12.2 ± 0.2?EIKiser and Hobrock, 1962RDSH
S2+14.0 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
S2+14.9 ± 0.4?EIHobrock and Kiser, 1963RDSH

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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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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-3100
NIST MS number 230585

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, Henry's Law data, Gas phase ion energetics 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]

Hubbard, Douslin, et al., 1958
Hubbard, W.N.; Douslin, D.R.; McCullough, J.P.; Scott, D.W.; Todd, S.S.; Messerly, J.F.; Hossenlopp, I.A.; George, A.; Waddington, G., 2,3-dithiabutane, 3,4-dithiahexane and 4,5-dithiaoctane: Chemical thermodynamic properties from 0 to 1000°K, J. Am. Chem. Soc., 1958, 80, 3547-3554. [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]

Scott, Finke, et al., 1952
Scott, D.W.; Finke, H.L.; McCullough, J.P.; Gross, M.E.; Pennington, R.E.; Waddington, G., 3,4-Dithiahexane: heat capacity, heats of fusion and vaporization, vapor pressure, entropy, and thermodynamic functions, J. Am. Chem. Soc., 1952, 74, 2478-2483. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]

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]

Scott, Finke, et al., 1952, 2
Scott, D.W.; Finke, H.L.; McCullough, J.P.; Gross, M.E.; Pennington, R.E.; Waddington, G., 3,4-Dithiahexane: Heat Capacity, Heat of Fusion and Vaporization, Vapor Pressure, Entropy, and Thermodynamic Functions, J. Am. Chem. Soc., 1952, 74, 2478-83. [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]

Osborn and Douslin, 1966
Osborn, A.G.; Douslin, D.R., Vapor Pressure Relations of 36 Sulfur Compounds Present in Petroleum., J. Chem. Eng. Data, 1966, 11, 4, 502-509, https://doi.org/10.1021/je60031a014 . [all data]

Scott, Finke, et al., 1952, 3
Scott, D.W.; Finke, H.L.; McCullough, J.P.; Gross, M.E.; Pennington, R.E.; Waddington, G., 3,4-Dithiahexane: Heat capacity, heats of fusion and vaporization, vapor pressure, entropy, and thermodynamic functions, J. Am. Chem. Soc., 1952, 74, 2478-24. [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]

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]

Haraldson, Olander, et al., 1960
Haraldson, L.; Olander, C.J.; Sunner, S.; Varde, K., Equilibrium studies on the disproportionation reaction between some dialkyl disulfides, Acta Chem. Scand., 1960, 14, 1509-1514. [all data]

Carles, Lecomte, et al., 2001
Carles, S.; Lecomte, F.; Schermann, J.P.; Desfrancois, C.; Xu, S.; Nilles, J.M.; Bowen, K.H.; Berges, J.; Houe, Nondissociative electron capture by disulfide bonds, J. Phys. Chem. A, 2001, 105, 23, 5622-5626, https://doi.org/10.1021/jp0040603 . [all data]

Hobrock and Kiser, 1963
Hobrock, B.G.; Kiser, R.W., Electron impact investigations of sulfur compounds. II. 3-Methyl-2-thiabutane, 4-thia-1-pentene, and 3,4-dithiahexane, J. Phys. Chem., 1963, 67, 648. [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]

Guimon, Guimon, et al., 1975
Guimon, M.-F.; Guimon, C.; Pfister-Guillouzo, G., Application of photoelectron spectroscopy to conformational analysis of 1,2,4-trithiolanes, Tetrahedron Lett., 1975, 7, 441. [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]

Baker, Brisk, et al., 1974
Baker, A.D.; Brisk, M.; Gellender, M., Photoelectron spectra and dihedral angles of disulfides, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 227. [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]

Gal'perin, Bogolyubov, et al., 1969
Gal'perin, Ya.V.; Bogolyubov, G.M.; Grishin, N.N.; Petrov, A.A., Organic derivatives of elements of groups V and VI. VI. Mass spectra of compounds with S-S bonds, Zh. Obshch. Khim., 1969, 39, 1599, In original 1567. [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]

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]

Kiser and Hobrock, 1962
Kiser, R.W.; Hobrock, B.G., The ionization potential of hydrogen disulfide (H2S2), J. Phys. Chem., 1962, 66, 1214. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References