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2-Butanethiol, 2-methyl-

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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-30.33 ± 0.22kcal/molCcbScott, Douslin, et al., 1962 

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-38.87 ± 0.21kcal/molCcbScott, Douslin, et al., 1962ALS
Quantity Value Units Method Reference Comment
Deltacliquid-985.19 ± 0.19kcal/molCcbScott, Douslin, et al., 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -985.04 ± 0.19 kcal/mol; ALS
Quantity Value Units Method Reference Comment
liquid69.340cal/mol*KN/AScott, Douslin, et al., 1962DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
47.359298.15Scott, Douslin, et al., 1962T = 10 to 350 K.; 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.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil375.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil372.7KN/AWeast and Grasselli, 1989BS
Tboil372.3KN/AMajer and Svoboda, 1985 
Tboil372.35KN/AMorris, Lanum, et al., 1960Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple169.3KN/AScott, Douslin, et al., 1962, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; by adiabatic calorimeter; TRC
Ttriple169.25KN/AMorris, Lanum, et al., 1960Uncertainty assigned by TRC = 0.2 K; meas. by Thermodynamics Lab., Bartlesville, OK; TRC
Quantity Value Units Method Reference Comment
Tc570.1KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Deltavap8.540kcal/molN/AMajer and Svoboda, 1985 
Deltavap8.51kcal/molN/AReid, 1972AC
Deltavap8.54kcal/molCScott, Douslin, et al., 1962ALS
Deltavap8.53kcal/molN/AScott, Douslin, et al., 1962DRB

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.498372.3N/AMajer and Svoboda, 1985 
8.68291.N/ADykyj, Svoboda, et al., 1999Based on data from 276. - 398. K.; AC
8.20335.A,EBStephenson and Malanowski, 1987Based on data from 320. - 411. K. See also Scott, Douslin, et al., 1962.; AC
8.08 ± 0.02330.CScott, Douslin, et al., 1962AC
7.82 ± 0.02350.CScott, Douslin, et al., 1962AC
7.50 ± 0.02372.CScott, Douslin, et al., 1962AC

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
330. - 372.12.20.2863570.1Majer 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
324.03 - 410.703.947561254.885-54.391Osborn and Douslin, 1966

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
11.68144.5Messerly, Finke, et al., 1974CAL
0.992146.1

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.9071159.1crystaline, IIcrystaline, IScott, Douslin, et al., 1962Lambda transition at about 145 K.; DH
0.1454169.3crystaline, IliquidScott, Douslin, et al., 1962DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
11.99159.1crystaline, IIcrystaline, IScott, Douslin, et al., 1962Lambda; DH
0.858169.3crystaline, IliquidScott, Douslin, et al., 1962DH

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:


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 NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291968

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, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, 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 Bol'shakov, et al., 1969
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. 20096
Instrument unknown
Boiling point 99

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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
PackedApiezon M130.728.Garbuzov, Misharina, et al., 1985He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m
PackedApiezon M130.730.Golovnya and Garbuzov, 1974N2, Chromosorb W; Column length: 2.1 m

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

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Column type Active phase I Reference Comment
CapillaryApiezon M728.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-20M918.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
CapillaryDC-20050.706.Leppin, Gollnick, et al., 1969Argon; Column length: 100. m

References

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

Scott, Douslin, et al., 1962
Scott, D.W.; Douslin, D.R.; Finke, H.L.; Hubbard, W.N.; Messerly, J.F.; Hossenlopp, I.A.; McCullough, J.P., 2-Methyl-2-butanethiol: Chemical thermodynamic properties and rotational isomerism, J. Phys. Chem., 1962, 66, 1334-1341. [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]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

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]

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]

Scott, Douslin, et al., 1962, 2
Scott, D.W.; Douslin, D.R.; Finke, H.L.; Hubbard, W.N.; Messerly, J.F.; Hossenlopp, I.A.; McCullough, J.P., 2-Methyl-2-Butanethiol: Chemical thermodynamic properties and rotational isomerism., J. Phys. Chem., 1962, 66, 1334-41. [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]

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]

Messerly, Finke, et al., 1974
Messerly, J.F.; Finke, H.L.; Todd, S.S., Low-temperature thermal studies on six organo-sulfur compounds, J. Chem. Thermodyn., 1974, 6, 7, 635, https://doi.org/10.1016/0021-9614(74)90115-3 . [all data]

Bol'shakov, et al., 1969
Bol'shakov, G.F., et al., Ultraviolet Spectra of heteroorganic compounds, 1969, 87. [all data]

Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V., Gas chromatographic retention indices for sulphur(II)-containing organic substances, J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]

Golovnya and Garbuzov, 1974
Golovnya, R.V.; Garbuzov, V.G., Effect of heteroatom in aliphatic sulfur- and oxygen-containing compounds on the values of the retention indices in gas chromatography, Izv. Akad. Nauk SSSR Ser. Khim., 1974, 7, 1519-1521. [all data]

Zhu, Wang, et al., 2007
Zhu, X.H.; Wang, W.; Schramm, K.-W.; Niu, W., Prediction of the Kova´ ts Retention Indices of Thiols by Use of Quantum Chemical and Physicochemical Descriptors, Chromatographia, 2007, 65, 11-12, 719-724, https://doi.org/10.1365/s10337-007-0237-3 . [all data]

Leppin, Gollnick, et al., 1969
Leppin, E.; Gollnick, K.; Schomburg, G., Gas chromatographic identification of isomeric mercaptans, Chromatographia, 1969, 2, 12, 535-540, https://doi.org/10.1007/BF02260096 . [all data]


Notes

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