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Ethanethiol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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-46.15kJ/molCcrMcCullough, Hubbard, et al., 1957 

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-73.68kJ/molCcrMcCullough, Hubbard, et al., 1957ALS
Quantity Value Units Method Reference Comment
Deltacliquid-2173.2 ± 0.42kJ/molCcrMcCullough, Hubbard, et al., 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -2172.0 ± 0.42 kJ/mol; ALS
Deltacliquid-2164.kJ/molCcbBerthelot, 1901ALS
Quantity Value Units Method Reference Comment
liquid207.02J/mol*KN/AMcCullough, Scott, et al., 1952DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
117.99299.05McCullough, Scott, et al., 1952T = 14 to 315 K. Unsmoothed experimental datum.; 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, Chris Muzny, 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
Tboil309. ± 1.KAVGN/AAverage of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus126.080KN/ADenyer, Fidler, et al., 1949Uncertainty assigned by TRC = 0.1 K; TRC
Tfus125.9KN/ATeets, 1934Uncertainty assigned by TRC = 0.5 K; TRC
Tfus125.9KN/AEllis and Reid, 1932Uncertainty assigned by TRC = 0.4 K; TRC
Tfus126.15KN/ATimmermans and Mattaar, 1921Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple125.25KN/AFinke, McCullough, et al., 1970Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple125.26KN/AMcCullough, Scott, et al., 1952, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc499.KN/AMajer and Svoboda, 1985 
Tc498.7KN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.4 K; by disappearance of meniscus; TRC
Tc498.8KN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.4 K; by appearance of turbidity; TRC
Quantity Value Units Method Reference Comment
Pc54.90barN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.5066 bar; vapor pressure at Tc; TRC
Quantity Value Units Method Reference Comment
rhoc4.822mol/lN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap27.52kJ/molN/AMajer and Svoboda, 1985 
Deltavap27.3kJ/molN/AReid, 1972AC
Deltavap27.5kJ/molVMcCullough, Hubbard, et al., 1957ALS
Deltavap27.5kJ/molN/AMcCullough, Hubbard, et al., 1957DRB
Deltavap27.30 ± 0.08kJ/molVMcCullough, Scott, et al., 1952, 3ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
26.79308.2N/AMajer and Svoboda, 1985 
28.4288.AStephenson and Malanowski, 1987Based on data from 273. - 313. K.; AC
27.5318.AStephenson and Malanowski, 1987Based on data from 303. - 375. K.; AC
26.3380.AStephenson and Malanowski, 1987Based on data from 265. - 448. K.; AC
26.6457.AStephenson and Malanowski, 1987Based on data from 442. - 499. K.; AC
28.4288.A,EBStephenson and Malanowski, 1987Based on data from 273. - 339. K. See also McCullough, Scott, et al., 1952 and Osborn and Douslin, 1966.; AC
28.4288.N/AOsborn and Douslin, 1966Based on data from 273. - 339. K.; AC
28.7306.N/AThompson and Linnett, 1935AC

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
281. - 308.40.820.2669499.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
273.6 - 339.264.076961084.531-41.765Osborn and Douslin, 1966 
308. - 493.4.445831330.977-8.272Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
4.975195.26McCullough, Scott, et al., 1952DH
4.97195.3Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
25.48195.26McCullough, Scott, 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, 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - 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

C2H5S- + Hydrogen cation = Ethanethiol

By formula: C2H5S- + H+ = C2H6S

Quantity Value Units Method Reference Comment
Deltar1488. ± 8.8kJ/molD-EAJanousek, Reed, et al., 1980gas phase; B
Deltar1486. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1460. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

CH6N+ + Ethanethiol = (CH6N+ bullet Ethanethiol)

By formula: CH6N+ + C2H6S = (CH6N+ bullet C2H6S)

Quantity Value Units Method Reference Comment
Deltar61.1kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar82.0J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

S-Ethyl ethanethioate + Water = Acetic acid + Ethanethiol

By formula: C4H8OS + H2O = C2H4O2 + C2H6S

Quantity Value Units Method Reference Comment
Deltar-4.0 ± 0.3kJ/molCmWadso, 1957liquid phase; Heat of hydrolysis; ALS

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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, 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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Mass 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-3851
NIST MS number 231057

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, 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.

McCullough, Hubbard, et al., 1957
McCullough, J.P.; Hubbard, W.N.; Frow, F.R.; Hossenlopp, I.A.; Waddington, G., Ethanethiol and 2-thiapropane: Heats of formation and isomerization; the chemical thermodynamic properties from 0 to 1000°K, J. Am. Chem. Soc., 1957, 79, 561-566. [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]

Berthelot, 1901
Berthelot, M., Chimie Organique. - Nouvelles recherches sur l'isomerie des ethers sulfocyaniques, Compt. Rend., 1901, 132, 57-58. [all data]

McCullough, Scott, et al., 1952
McCullough, J.P.; Scott, D.W.; Finke, H.L.; Gross, M.E.; Williamson, K.D.; Pennington, R.E.; Waddington, G.; Huffman, H.M., Ethanethiol (ethyl mercaptan): thermodynamic properties in the solid, liquid and vapor states. Thermodynamic functions to 1000K, J. Am. Chem. Soc., 1952, 74, 2801-2804. [all data]

Denyer, Fidler, et al., 1949
Denyer, R.L.; Fidler, F.A.; Lowry, R.A., Azeotrope Formation Between Thiols and Hydrocarbons, Ind. Eng. Chem., 1949, 41, 2727-37. [all data]

Teets, 1934
Teets, D.E., The Relation of the Melting Point to the Number of Carbon Atoms in a Series of Normal Mercaptans, J. Am. Chem. Soc., 1934, 56, 1143. [all data]

Ellis and Reid, 1932
Ellis, L.M.; Reid, E.E., The Preparation and Properties of A Double Series of Aliphatic Mercaptans, J. Am. Chem. Soc., 1932, 54, 1674. [all data]

Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F., Freezing points of orgainic substances VI. New experimental determinations., Bull. Soc. Chim. Belg., 1921, 30, 213. [all data]

Finke, McCullough, et al., 1970
Finke, H.L.; McCullough, J.P.; Messerly, J.F.; Guthrie, G.B.; Douslin, D.R., Chemical thermodynamic properties for 1-alkanethiols, J. Chem. Thermodyn., 1970, 2, 27. [all data]

McCullough, Scott, et al., 1952, 2
McCullough, J.P.; Scott, D.W.; Finke, H.L.; Gross, M.E.; Williamson, K.D.; Pennington, R.E.; Waddington, G.; Huffman, H.M., Ethanethiol (ethyl mercaptan) thermodynamic properties in the solid, liquid and vapor states thermodynamic functions to 1000k, J. Am. Chem. Soc., 1952, 74, 2801-4. [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]

Berthoud and Brum, 1924
Berthoud, A.; Brum, R., Physical Properties of Some Organic Compounds., J. Chim. Phys. Phys.-Chim. Biol., 1924, 21, 143-60. [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

McCullough, Scott, et al., 1952, 3
McCullough, J.P.; Scott, D.W.; Finke, H.L.; Gross, M.E.; Williamson, K.D.; Pennington, R.E.; Waddington, G.; Huffman, H.M., Ethanethiol (ethyl mercaptan): Thermodynamic properties in the solid, liquid and vapor states. Thermodynamic functions to 1000°K, J. Am. Chem. Soc., 1952, 74, 2801-28. [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]

Thompson and Linnett, 1935
Thompson, H.W.; Linnett, J.W., The vapour pressures of some alkyl sulphides, Trans. Faraday Soc., 1935, 31, 1743, https://doi.org/10.1039/tf9353101743 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [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]

Janousek, Reed, et al., 1980
Janousek, B.K.; Reed, K.J.; Brauman, J.I., Electron photodetachment from mercaptyl anions (RS- electron affinities of mercaptyl radicals and the S-H bond strength in mercaptans), J. Am. Chem. Soc., 1980, 102, 3125. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Meot-Ner (Mautner) and Sieck, 1985
Meot-Ner (Mautner), M.; Sieck, L.W., The Ionic Hydrogen Bond and Ion Solvation. 4. SH+ O and NH+ S Bonds. Correlations with Proton Affinity. Mutual Effects of Weak and Strong Ligands in Mixed Clusters, J. Phys. Chem., 1985, 89, 24, 5222, https://doi.org/10.1021/j100270a021 . [all data]

Wadso, 1957
Wadso, I., The heats of hydrolysis of some alkyl thiolesters, Acta Chem. Scand., 1957, 11, 1745-1751. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References