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2-Butanethiol

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Gas phase thermochemistry data

Go To: Top, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-22.97 ± 0.19kcal/molCcrHubbard, Good, et al., 1958 

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-31.30 ± 0.21kcal/molCcrHubbard, Good, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -31.10 ± 0.18 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-830.44 ± 0.17kcal/molCcrHubbard, Good, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -830.28 ± 0.15 kcal/mol; ALS
Quantity Value Units Method Reference Comment
liquid64.871cal/mol*KN/AMcCullough, Finke, et al., 1958DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
40.92298.15McCullough, Finke, et al., 1958T = 12 to 309 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase 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 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
DRB - Donald R. Burgess, Jr.
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
Tboil358.0 ± 0.9KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus108.2KN/AEllis and Reid, 1932Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ttriple133.02KN/AMcCullough, Finke, et al., 1958, 2Uncertainty assigned by TRC = 0.06 K; TRC
Ttriple133.01KN/AHaines, Helm, et al., 1956Uncertainty assigned by TRC = 0.06 K; deterined at Thermdynamics Lab., U. S. Bureau of Mines, Bartlesville, OK; TRC
Quantity Value Units Method Reference Comment
Tc554.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Deltavap8.145kcal/molN/AMajer and Svoboda, 1985 
Deltavap8.15kcal/molN/AReid, 1972AC
Deltavap8.34kcal/molN/AHubbard, Good, et al., 1958DRB
Deltavap8.13kcal/molVMcCullough, Finke, et al., 1958, 3ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.311358.1N/AMajer and Svoboda, 1985 
7.93325.A,EBStephenson and Malanowski, 1987Based on data from 310. - 395. K. See also McCullough, Finke, et al., 1958 and Osborn and Douslin, 1966.; AC
7.86 ± 0.02318.CMcCullough, Finke, et al., 1958AC
7.72 ± 0.02329.CMcCullough, Finke, et al., 1958AC
7.60 ± 0.02337.CMcCullough, Finke, et al., 1958AC
7.31 ± 0.02358.CMcCullough, Finke, et al., 1958AC

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
318. - 358.11.740.2808554.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
312.11 - 394.634.006171229.904-51.129Osborn and Douslin, 1966

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.548133.02McCullough, Finke, et al., 1958DH
1.55133.Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
11.64133.02McCullough, Finke, et al., 1958DH

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:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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

View image of digitized spectrum (can be printed in landscape orientation).

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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-3790
NIST MS number 231052

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, 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.

Hubbard, Good, et al., 1958
Hubbard, W.N.; Good, W.D.; Waddington, G., The heats of combustion, formation and isomerization of the seven isomeric C4H10S alkane thiols and sulfides, J. Phys. Chem., 1958, 62, 614-617. [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]

McCullough, Finke, et al., 1958
McCullough, J.P.; Finke, H.L.; Scott, D.W.; Pennington, R.E.; Gross, M.E.; Messerly, J.F.; Waddington, G., 2-Butanethiol: chemical thermodynamic properties between 0 and 1000K., rotational conformations, J. Am. Chem. Soc., 1958, 80, 4786-4793. [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]

McCullough, Finke, et al., 1958, 2
McCullough, J.P.; Finke, H.L.; Scott, D.W.; Pennington, R.E.; Gross, M.E.; Messerly, J.F.; Waddington, G., 2-Butanethiol: chemical thermodynamic properties between 0 and 1000 K; rotational conformations., J. Am. Chem. Soc., 1958, 80, 4786-93. [all data]

Haines, Helm, et al., 1956
Haines, W.E.; Helm, R.V.; Cook, G.L.; Ball, J.S., Purification and Properties of Organic Sulfur Compounds, J. Phys. Chem., 1956, 60, 549-55. [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]

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, Finke, et al., 1958, 3
McCullough, J.P.; Finke, H.L.; Scott, D.W.; Pennington, R.E.; Gross, M.E.; Messerly, J.F.; Waddington, G., 2-butanethiol: Chemical thermodynamic properties between 0 and 1000°K; rotational conformations, J. Am. Chem. Soc., 1958, 80, 4786-47. [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]

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]


Notes

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