Ethanethiol

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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
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., 1952Uncertainty 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
ρc4.822mol/lN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap27.52kJ/molN/AMajer and Svoboda, 1985 
Δvap27.3kJ/molN/AReid, 1972AC
Δvap27.5kJ/molVMcCullough, Hubbard, et al., 1957ALS
Δvap27.5kJ/molN/AMcCullough, Hubbard, et al., 1957DRB
Δvap27.30 ± 0.08kJ/molVMcCullough, Scott, et al., 1952, 2ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
26.79308.2N/AMajer and Svoboda, 1985 
28.4288.AStephenson and Malanowski, 1987Based on data from 273. to 313. K.; AC
27.5318.AStephenson and Malanowski, 1987Based on data from 303. to 375. K.; AC
26.3380.AStephenson and Malanowski, 1987Based on data from 265. to 448. K.; AC
26.6457.AStephenson and Malanowski, 1987Based on data from 442. to 499. K.; AC
28.4288.A,EBStephenson and Malanowski, 1987Based on data from 273. to 339. K. See also McCullough, Scott, et al., 1952, 3 and Osborn and Douslin, 1966.; AC
28.4288.N/AOsborn and Douslin, 1966Based on data from 273. to 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) β Tc (K) Reference Comment
281. to 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 to 339.264.076961084.531-41.765Osborn and Douslin, 1966 
308. to 493.4.445831330.977-8.272Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
4.975195.26McCullough, Scott, et al., 1952, 3DH
4.97195.3Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
25.48195.26McCullough, Scott, et al., 1952, 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:


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 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
Δr1488. ± 8.8kJ/molD-EAJanousek, Reed, et al., 1980gas phase; B
Δr1486. ± 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
Δr1460. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

CH6N+ + Ethanethiol = (CH6N+ • Ethanethiol)

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

Quantity Value Units Method Reference Comment
Δr61.1kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr82.0J/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
Δr-4.0 ± 0.3kJ/molCmWadso, 1957liquid phase; Heat of hydrolysis; ALS

Gas phase ion energetics data

Go To: Top, Phase change data, Reaction thermochemistry data, References, Notes

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
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C2H6S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.31 ± 0.03eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)789.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity758.4kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.28PITraeger, 1984LBLHLM
9.3PEOhno, Imai, et al., 1983LBLHLM
9.36PEKimura, Katsumata, et al., 1981LLK
8.69PEWeiner and Lattman, 1978LLK
9.29PEOgata, Onizuka, et al., 1973LLK
9.3 ± 0.1EIKeyes and Harrson, 1968RDSH
9.285 ± 0.005PIWatanabe, Nakayama, et al., 1962RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+17.7 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
CH2S+11.2 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
CH3S+11.4 ± 0.1CH3EIKeyes and Harrson, 1968RDSH
CS+11.7 ± 0.3CH4+H2EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H2+14.7 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H3+15.8 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H3S+18.3 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H4+13.0 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H4S+14.0 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H5+11.26SHPITraeger, 1984LBLHLM
C2H5+12.1 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H5S+11.5HEIAmos, Gillis, et al., 1969RDSH
H2S+11.8 ± 0.3C2H4EIGal'perin, Bogolyubov, et al., 1969RDSH
H3S+12.41?EIHaney and Franklin, 1969RDSH
S+14.2 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH

De-protonation reactions

C2H5S- + Hydrogen cation = Ethanethiol

By formula: C2H5S- + H+ = C2H6S

Quantity Value Units Method Reference Comment
Δr1488. ± 8.8kJ/molD-EAJanousek, Reed, et al., 1980gas phase; B
Δr1486. ± 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
Δr1460. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

References

Go To: Top, 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.

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
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, 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]

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 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]

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 1000K, J. Am. Chem. Soc., 1952, 74, 2801-2804. [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]

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]

Traeger, 1984
Traeger, J.C., Heat of formation for the SH radical by photoionization mass spectrometry, Org. Mass Spectrom., 1984, 19, 514. [all data]

Ohno, Imai, et al., 1983
Ohno, K.; Imai, K.; Matsumoto, S.; Harada, Y., Penning ionization electron spectroscopy of C2H5X (X = NH2, OH, H, Cl, I) relative reactivity of orbital localizing on functional groups upon electrophilic attack by metastable helium atoms, J. Phys. Chem., 1983, 87, 4346. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Weiner and Lattman, 1978
Weiner, M.A.; Lattman, M., Ultraviolet photoelectron spectra of some Cr(CO)5L complexes containing organosulfide and organophosphine ligands, Inorg. Chem., 1978, 17, 1084. [all data]

Ogata, Onizuka, et al., 1973
Ogata, H.; Onizuka, H.; Nihei, Y.; Kamada, H., The photoelectron spectra of alcohols, mercaptans and amines, Bull. Chem. Soc. Jpn., 1973, 46, 3036. [all data]

Keyes and Harrson, 1968
Keyes, B.G.; Harrson, A.G., The fragmentation of aliphatic sulfur compounds by electron impact, J. Am. Chem. Soc., 1968, 90, 5671. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Gal'perin, Bogolyubov, et al., 1969
Gal'perin, Ya.V.; Bogolyubov, G.M.; Grishin, N.N.; Petrov, A.A., Organic derivatives of elements of groups V and VI. VI. Mass spectra of compounds with S-S bonds, Zh. Obshch. Khim., 1969, 39, 1599, In original 1567. [all data]

Amos, Gillis, et al., 1969
Amos, D.; Gillis, R.G.; Occolowitz, J.L.; Pisani, J.F., The ions [CH3S]+, [C2H5S]+ and [CH3O]+ formed by electron-impact, Org. Mass Spectrom., 1969, 2, 209. [all data]

Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L., Heats of formation of H3O+, H3S+, and NH4+ by electron impact, J. Chem. Phys., 1969, 50, 2028. [all data]


Notes

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