1,4-Butanedithiol

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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-50.5 ± 1.8kJ/molCcbMansson and Sunner, 1962hf298_H2SO4.115=-212.24 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-105.8 ± 1.8kJ/molCcbMansson and Sunner, 1962hf298_H2SO4.115=-212.24 kcal/mol
Quantity Value Units Method Reference Comment
Δcliquid-4102.2 ± 1.7kJ/molCcbMansson and Sunner, 1962hf298_H2SO4.115=-212.24 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.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil468.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Δvap55.1kJ/molN/AMajer and Svoboda, 1985 
Δvap55.3 ± 0.4kJ/molVMansson and Sunner, 1962hf298_H2SO4.115=-212.24 kcal/mol; ALS
Δvap55.3kJ/molN/AMansson and Sunner, 1962DRB
Δvap55.3kJ/molN/AMansson and Sunner, 1962AC
Δvap54.9kJ/molN/AMansson and Sunner, 1962AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
378.70.040Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
50.9362.AStephenson and Malanowski, 1987Based on data from 347. to 469. K. See also Dykyj, Svoboda, et al., 1999.; AC

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 by: John E. Bartmess

De-protonation reactions

C4H9S2- + Hydrogen cation = 1,4-Butanedithiol

By formula: C4H9S2- + H+ = C4H10S2

Quantity Value Units Method Reference Comment
Δr1439. ± 11.kJ/molG+TSKarty, Wu, et al., 2001gas phase
Quantity Value Units Method Reference Comment
Δr1429. ± 8.8kJ/molIMREKarty, Wu, et al., 2001gas phase

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.

Mansson and Sunner, 1962
Mansson, M.; Sunner, S., Heats of combustion and formation of the n-Alkane-αω-dithiols from ethane through pentane, Acta Chem. Scand., 1962, 16, 1863-1869. [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]

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

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Karty, Wu, et al., 2001
Karty, J.M.; Wu, Y.S.; Brauman, J.I., The RS-center dot HSR hydrogen bond: Acidities of alpha,omega- dithiols and electron affinities of their monoradicals, J. Am. Chem. Soc., 2001, 123, 40, 9800-9805, https://doi.org/10.1021/ja0039684 . [all data]


Notes

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