Di-tert-butyl disulfide

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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
Δfgas-47.8kcal/molIonHawari, Griller, et al., 1986 
Δfgas-47.75 ± 0.54kcal/molCcrGood, 1972 
Δfgas-48.29 ± 0.54kcal/molCcbMackle and McClean, 1964Reanalyzed by Cox and Pilcher, 1970, Original value = -47.05 ± 0.60 kcal/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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-60.46 ± 0.36kcal/molCcrGood, 1972 
Δfliquid-60.00 ± 0.42kcal/molCcbMackle and McClean, 1964Reanalyzed by Cox and Pilcher, 1970, Original value = -59.76 ± 0.39 kcal/mol
Quantity Value Units Method Reference Comment
Δcliquid-1594.16 ± 0.32kcal/molCcrGood, 1972 
Δcliquid-1595.16 ± 0.38kcal/molCcbMackle and McClean, 1964Reanalyzed by Cox and Pilcher, 1970, Original value = -1593.42 ± 0.38 kcal/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
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
Tboil473.7KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Δvap12.6 ± 0.7kcal/molAVGN/AAverage of 8 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
361.20.028Weast and Grasselli, 1989BS

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 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

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

By formula: C8H18S2 + C4H10S2 = 2C6H14S2

Quantity Value Units Method Reference Comment
Δr0.0 ± 0.05kcal/molEqkHaraldson, Olander, et al., 1960liquid phase; solvent: Nonpolar solvent

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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
8.15PEGuimon, Guimon, et al., 1975Vertical value; LLK
8.17PEWagner and Bock, 1974Vertical value; LLK
8.20PEBaker, Brisk, et al., 1974Vertical value; LLK
8.17PEBock, Wagner, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H9S2+9.1 ± 0.8(CH3)3CEIHawari, Griller, et al., 1986, 2LBLHLM

References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hawari, Griller, et al., 1986
Hawari, J.A.; Griller, D.; Lossing, F.P., Thermochemistry of perthiyl radicals, J. Am. Chem. Soc., 1986, 108, 3273-3275. [all data]

Good, 1972
Good, W.D., Enthalpies of combustion of 18 organic sulfur compounds related to petroleum, J. Chem. Eng. Data, 1972, 17, 158-162. [all data]

Mackle and McClean, 1964
Mackle, H.; McClean, R.T.B., Studies in the thermochemistry of organic sulphides. Part 5.-Dithia-alkanes, Trans. Faraday Soc., 1964, 60, 669-672. [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]

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]

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]

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]

Hawari, Griller, et al., 1986, 2
Hawari, J.A.; Griller, D.; Lossing, F.P., Thermochemistry of perthiyl radicals, J. Am. Chem. Soc., 1986, 108, 3273. [all data]


Notes

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