Di-tert-butyl 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-45.05 ± 0.27kcal/molCcrGood, 1972 
Δfgas-44.70 ± 0.65kcal/molCcbMackle and Mayrick, 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -49.6 ± 0.5 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-55.51 ± 0.26kcal/molCcrGood, 1972 
Δfliquid-55.62 ± 0.23kcal/molCcbMackle and Mayrick, 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -60.4 ± 0.4 kcal/mol
Quantity Value Units Method Reference Comment
Δcliquid-1455.63 ± 0.22kcal/molCcrGood, 1972 
Δcliquid-1455.58 ± 0.18kcal/molCcbMackle and Mayrick, 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -1450.7 ± 0.4 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil422.2KN/AWeast and Grasselli, 1989BS
Tboil422.2KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap10.47kcal/molN/AMajer and Svoboda, 1985 
Δvap10.46 ± 0.05kcal/molVGood, 1972ALS
Δvap10.5kcal/molN/AGood, 1972DRB
Δvap10.90 ± 0.22kcal/molVMackle and Mayrick, 1962Reanalyzed by Cox and Pilcher, 1970, Original value = 10.8 ± 0.3 kcal/mol; ALS
Δvap10.9kcal/molN/AMackle and Mayrick, 1962DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference
7.949422.2Majer and Svoboda, 1985

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)213.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity206.5kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.2 ± 0.1EIDistefano, Ricci, et al., 1974LLK
8.07PEWagner and Bock, 1974Vertical value; LLK
8.18 ± 0.05PEDistefano, Ricci, et al., 1974, 2Vertical value; LLK
8.07PEBock, Wagner, et al., 1972Vertical value; LLK

References

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

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 Mayrick, 1962
Mackle, H.; Mayrick, R.G., Studies in the thermochemistry of organic sulphides. Part 2. The gas-phase heats of formation of ten aliphatic sulphides, Trans. Faraday Soc., 1962, 58, 230-237. [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]

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]

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]

Distefano, Ricci, et al., 1974
Distefano, G.; Ricci, A.; Danieli, R.; Foffani, A.; Innorta, G.; Torroni, S., Mass spectrometric evidence for p π-d π bonding between sulfur and the Group IVB elements, J. Organomet. Chem., 1974, 65, 205. [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]

Distefano, Ricci, et al., 1974, 2
Distefano, G.; Ricci, A.; Colonna, F.P.; Pietropaolo, D.; Pignataro, S., Bonding between sulfur and the elements of Group IV studied by UV photoelectron spectroscopy, J. Organomet. Chem., 1974, 78, 93. [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]


Notes

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