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Benzenethiol

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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, Chris Muzny, director
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
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
Tboil441.9KN/AWeast and Grasselli, 1989BS
Tboil442.3KN/AMajer and Svoboda, 1985 
Tboil442.6KN/ABuckingham and Donaghy, 1982BS
Tboil442.25KN/AMorris, Lanum, et al., 1960Uncertainty assigned by TRC = 0.2 K; TRC
Tboil442.7KN/ALecat, 1947Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus258.21KN/AMorris, Lanum, et al., 1960Uncertainty assigned by TRC = 0.02 K; TRC
Tfus258.3KN/AParks, Todd, et al., 1936Uncertainty assigned by TRC = 0.2 K; TRC
Tfus258.25KN/AParks, Todd, et al., 1936, 2Uncertainty assigned by TRC = 0.15 K; TRC
Quantity Value Units Method Reference Comment
Ttriple258.27KN/AScott, McCullough, et al., 1956Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple258.2KN/AParks, Todd, et al., 1936, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc689.5KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Deltavap11.37kcal/molN/AMajer and Svoboda, 1985 
Deltavap11.6kcal/molN/AScott, McCullough, et al., 1956, 2DRB

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
350.0.039Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.543442.3N/AMajer and Svoboda, 1985 
11.0348.N/ADykyj, Svoboda, et al., 1999Based on data from 333. - 471. K.; AC
10.3400.A,EBStephenson and Malanowski, 1987Based on data from 385. - 486. K. See also Osborn and Douslin, 1966 and Scott, McCullough, et al., 1956, 2.; AC
11.64 ± 0.05375.CScott, McCullough, et al., 1956, 2ALS
10.5 ± 0.02375.CScott, McCullough, et al., 1956, 2AC
10.2 ± 0.02395.CScott, McCullough, et al., 1956, 2AC
9.99 ± 0.02407.CScott, McCullough, et al., 1956, 2AC
9.87 ± 0.02417.CScott, McCullough, et al., 1956, 2AC
10.6339.N/Avon Terres, Gebert, et al., 1955Based on data from 324. - 440. K. See also Boublik, Fried, et al., 1984.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) beta Tc (K) Reference Comment
298. - 417.14.770.262689.5Majer and Svoboda, 1985 

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference
387.69 - 485.314.109381529.454-70.102Osborn and Douslin, 1966

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.7359258.27Scott, McCullough, et al., 1956, 2DH
2.744258.2Domalski and Hearing, 1996AC
2.7433258.2Parks, Todd, et al., 1936, 3DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
10.59258.27Scott, McCullough, et al., 1956, 2DH
10.62258.2Parks, Todd, et al., 1936, 3DH

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:


References

Go To: Top, Phase change data, Notes

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

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]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Morris, Lanum, et al., 1960
Morris, J.C.; Lanum, W.J.; Helm, R.V.; Haines, W.E.; Cook, G.L.; Ball, J.S., Purification and Properties of Ten Organic Sulfur Compounds, J. Chem. Eng. Data, 1960, 5, 112-6. [all data]

Lecat, 1947
Lecat, M., Orthobaric Azeotropes of Sulfides, Bull. Cl. Sci., Acad. R. Belg., 1947, 33, 160-82. [all data]

Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Shomate, C.H., Thermal data on organic compounds. XVII. Some heat capacity, entropy and free energy data for five higher olefins, J. Am. Chem. Soc., 1936, 58, 2505. [all data]

Parks, Todd, et al., 1936, 2
Parks, G.S.; Todd, S.S.; Moore, W.A., Thermal Data on Organic Compounds. XVI. Some Heat Capacity, Entropy and Free Energy Data for Typical Benzene Derivatives and Heterocyclic Compounds, J. Am. Chem. Soc., 1936, 58, 398. [all data]

Scott, McCullough, et al., 1956
Scott, D.W.; McCullough, J.P.; Hubbard, W.N.; Messerly, J.F.; Hossenlopp, I.A.; Frow, F.R.; Waddington, G., Benzenethiol: Thermodynamic Properties in the Solid, Liquid and Vapor States; Internal Rotation of the Thiol Group, J. Am. Chem. Soc., 1956, 78, 5463-8. [all data]

Scott, McCullough, et al., 1956, 2
Scott, D.W.; McCullough, J.P.; Hubbard, W.N.; Messerly, J.F.; Hossenlopp, I.A.; Frow, F.R.; Waddington, G., Benzenethiol: Thermodynamic properties in the solid, liquid and vapor states; internal rotation of the thiol group, J. Am. Chem. Soc., 1956, 78, 5463-5468. [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]

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]

von Terres, Gebert, et al., 1955
von Terres, E.; Gebert, F.; Hulsemann, H.; Petereit, H.; Toepsch, H.; Ruppert, W., Brennst.-Chem., 1955, 36, 272. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [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]

Parks, Todd, et al., 1936, 3
Parks, G.S.; Todd, S.S.; Moore, W.A., Thermal data on organic compounds. XVI. Some heat capacity, entropy and free energy data for typical benzene derivatives and heterocyclic compounds, J. Am. Chem. Soc., 1936, 58, 398-401. [all data]


Notes

Go To: Top, Phase change data, References