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1-Propanethiol, 2-methyl-

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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-23.06 ± 0.21kcal/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-31.55 ± 0.21kcal/molCcrHubbard, Good, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -31.36 ± 0.21 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-830.19 ± 0.17kcal/molCcrHubbard, Good, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -830.02 ± 0.17 kcal/mol; ALS
Quantity Value Units Method Reference Comment
liquid63.659cal/mol*KN/AScott, McCullough, et al., 1958DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
41.080298.15Scott, McCullough, et al., 1958T = 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.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil361. ± 1.KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus128.29KN/AMorris, Lanum, et al., 1960Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Ttriple128.31KN/AScott, McCullough, et al., 1958, 2Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc559.5KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Deltavap8.296kcal/molN/AMajer and Svoboda, 1985 
Deltavap8.27kcal/molN/AReid, 1972AC
Deltavap8.30 ± 0.02kcal/molEHubbard, Good, et al., 1958ALS
Deltavap8.48kcal/molN/AHubbard, Good, et al., 1958DRB
Deltavap8.30kcal/molVScott, McCullough, et al., 1958ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.412361.6N/AMajer and Svoboda, 1985 
8.03329.A,EBStephenson and Malanowski, 1987Based on data from 314. - 399. K. See also Scott, McCullough, et al., 1958 and Osborn and Douslin, 1966.; AC
7.96 ± 0.02321.CScott, McCullough, et al., 1958AC
7.72 ± 0.02340.CScott, McCullough, et al., 1958AC
7.41 ± 0.02361.CScott, McCullough, 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
321. - 362.11.910.2813559.5Majer 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
315.4 - 398.364.006651237.282-52.837Osborn and Douslin, 1966

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.1908128.31Scott, McCullough, et al., 1958DH
1.19128.3Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
92.81128.31Scott, McCullough, 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:


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 by: John E. Bartmess

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

C4H9S- + Hydrogen cation = 1-Propanethiol, 2-methyl-

By formula: C4H9S- + H+ = C4H10S

Quantity Value Units Method Reference Comment
Deltar353.1 ± 2.2kcal/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar346.8 ± 2.0kcal/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale

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)

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-3789
NIST MS number 231053

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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.

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]

Scott, McCullough, et al., 1958
Scott, D.W.; McCullough, J.P.; Messerly, J.F.; Pennington, R.E.; Hossenlopp, I.A.; Finke, H.L.; Waddington, G., 2-Methyl-1-propanethiol: Chemical thermodynamic properties and rotational isomerism, J. Am. Chem. Soc., 1958, 80, 55-59. [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, McCullough, et al., 1958, 2
Scott, D.W.; McCullough, J.P.; Messerly, J.F.; Pennington, R.E.; Hossenlopp, I.A.; Finke, H.L.; Waddington, G., 2-Methyl-1-propanethiol: Chemical Thermodynamic properties and Rotational isomerism., J. Am. Chem. Soc., 1958, 80, 55-9. [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]

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]

Taft, 1987
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [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