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Ethanethiol

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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
Deltafgas-11.03kcal/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-17.61kcal/molCcrMcCullough, Hubbard, et al., 1957ALS
Quantity Value Units Method Reference Comment
Deltacliquid-519.40 ± 0.10kcal/molCcrMcCullough, Hubbard, et al., 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -519.11 ± 0.10 kcal/mol; ALS
Deltacliquid-517.2kcal/molCcbBerthelot, 1901ALS
Quantity Value Units Method Reference Comment
liquid49.479cal/mol*KN/AMcCullough, Scott, et al., 1952DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
28.200299.05McCullough, 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
Pc54.18atmN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.5000 atm; 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
Deltavap6.577kcal/molN/AMajer and Svoboda, 1985 
Deltavap6.52kcal/molN/AReid, 1972AC
Deltavap6.58kcal/molVMcCullough, Hubbard, et al., 1957ALS
Deltavap6.57kcal/molN/AMcCullough, Hubbard, et al., 1957DRB
Deltavap6.53 ± 0.02kcal/molVMcCullough, Scott, et al., 1952, 3ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
6.403308.2N/AMajer and Svoboda, 1985 
6.79288.AStephenson and Malanowski, 1987Based on data from 273. - 313. K.; AC
6.57318.AStephenson and Malanowski, 1987Based on data from 303. - 375. K.; AC
6.29380.AStephenson and Malanowski, 1987Based on data from 265. - 448. K.; AC
6.36457.AStephenson and Malanowski, 1987Based on data from 442. - 499. K.; AC
6.79288.A,EBStephenson and Malanowski, 1987Based on data from 273. - 339. K. See also McCullough, Scott, et al., 1952 and Osborn and Douslin, 1966.; AC
6.79288.N/AOsborn and Douslin, 1966Based on data from 273. - 339. K.; AC
6.86306.N/AThompson and Linnett, 1935AC

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
281. - 308.9.7560.2669499.Majer 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 Comment
273.6 - 339.264.071251084.531-41.765Osborn and Douslin, 1966 
308. - 493.4.440121330.977-8.272Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.189195.26McCullough, Scott, et al., 1952DH
1.19195.3Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
6.090195.26McCullough, 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

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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
Deltar355.7 ± 2.1kcal/molD-EAJanousek, Reed, et al., 1980gas phase; B
Deltar355.2 ± 2.2kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar348.9 ± 2.0kcal/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
Deltar14.6kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.6cal/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-0.95 ± 0.06kcal/molCmWadso, 1957liquid phase; Heat of hydrolysis; ALS

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.26 MN/A missing citation also measured solubilities in salt solutions.
0.34 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.283400.MN/A 
0.36 VN/A 
0.22 MN/A 

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
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)188.7kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity181.3kcal/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
Deltar355.7 ± 2.1kcal/molD-EAJanousek, Reed, et al., 1980gas phase; B
Deltar355.2 ± 2.2kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar348.9 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

Ion clustering 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

CH6N+ + Ethanethiol = (CH6N+ bullet Ethanethiol)

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

Quantity Value Units Method Reference Comment
Deltar14.6kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase
Quantity Value Units Method Reference Comment
Deltar19.6cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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: 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.


UV/Visible spectrum

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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Haines, Helm, et al., 1954
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 776
Instrument Beckman DU
Melting point -147.8
Boiling point 35.1

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Free Links, 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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-5100.512.6Miller and Bruno, 200330. m/0.25 mm/0.1 «mu»m
CapillaryDB-5120.528.5Miller and Bruno, 200330. m/0.25 mm/0.1 «mu»m
CapillaryDB-560.517.4Miller and Bruno, 200330. m/0.25 mm/0.1 «mu»m
CapillaryDB-580.514.2Miller and Bruno, 200330. m/0.25 mm/0.1 «mu»m
PackedApiezon M130.517.Garbuzov, Misharina, et al., 1985He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m
PackedSqualane60.482.Zygmunt and Staszewski, 1981Chromosorb W DMCS; Column length: 2. m
PackedSqualane80.484.Zygmunt and Staszewski, 1981Chromosorb W DMCS; Column length: 2. m
PackedDC-20060.505.Golovnya and Arsen'ev, 1970Column length: 1.5 m
PackedSE-3060.500.Golovnya and Arsen'ev, 1970Column length: 1.5 m

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryApiezon M517.Zhu, Wang, et al., 2007Program: not specified

Kovats' RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPEG-20M753.Zhu, Wang, et al., 2007Program: not specified

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups100.513.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 «mu»m, Nitrogen
CapillaryPolydimethyl siloxane with 5 % Ph groups60.517.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 «mu»m, Nitrogen
CapillaryPolydimethyl siloxane with 5 % Ph groups80.514.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 «mu»m, Nitrogen
PackedApiezon L100.520.Kavan, 1973Column length: 3.2 m

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101502.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C
CapillaryPONA482.Yang, Wang, et al., 200450. m/0.20 mm/0.50 «mu»m, N2, 2. K/min; Tstart: 35. C; Tend: 170. C
CapillaryPONA496.Yang, Wang, et al., 200350. m/0.20 mm/0.50 «mu»m, 2. K/min; Tstart: 30. C; Tend: 150. C
CapillaryOV-101500.Tamura, Nakamoto, et al., 1995N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101501.Tamura, Nakamoto, et al., 1995N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101500.Sugisawa, Nakamura, et al., 1990Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C
CapillaryOV-101500.Sugisawa, Nakamura, et al., 1990Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPONA496.Yang, Wang, et al., 200350. m/0.20 mm/0.50 «mu»m; Program: not specified
CapillaryPolydimethyl siloxanes502.Zenkevich, 1998Program: not specified
CapillaryPolydimethyl siloxanes502.Zenkevich and Chupalov, 1996Program: not specified
CapillarySPB-1490.Nedjma and Maujean, 199530. m/0.32 mm/4. «mu»m, H2; Program: 35(1)-10 -> 55-25 ->250

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax731.Umano, Hagi, et al., 1995He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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
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Osborn and Douslin, 1966
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Notes

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