Ethane, (methylthio)-

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

Quantity Value Units Method Reference Comment
Δfliquid-22.06 ± 0.27kcal/molCcrHubbard and Waddington, 1954Heat of combustion calculated author's U=-675.17
Quantity Value Units Method Reference Comment
Δcliquid-677.24 ± 0.25kcal/molCcrHubbard and Waddington, 1954Heat of combustion calculated author's U=-675.17

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
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil339.8KN/AWeast and Grasselli, 1989BS
Tboil339.8KN/AMajer and Svoboda, 1985 
Tboil340.KN/APochinok and Limarenko, 1955Uncertainty assigned by TRC = 5. K; TRC
Tboil339.8KN/AMcallan, Cullum, et al., 1951Uncertainty assigned by TRC = 0.3 K; TRC
Tboil335.2KN/ATrotter and Thompson, 1946Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus167.24KN/AMcallan, Cullum, et al., 1951Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Ttriple167.23KN/AScott, Finke, et al., 1951Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc553.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap7.646kcal/molN/AMajer and Svoboda, 1985 
Δvap7.53kcal/molN/AShimizu, Saito, et al., 1981AC
Δvap7.60kcal/molN/AReid, 1972See also Osborn and Douslin, 1966 and Hubbard and Waddington, 2010.; AC
Δvap7.65kcal/molN/AHubbard and Waddington, 1954DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
7.058339.8N/AMajer and Svoboda, 1985 
8.05268.N/ADykyj, Svoboda, et al., 1999Based on data from 253. to 363. K.; AC
7.60311.A,EBStephenson and Malanowski, 1987Based on data from 296. to 373. K. See also Scott, Finke, et al., 1951, 2.; AC
7.72287.N/AMackle, Mayrick, et al., 1960AC
7.64 ± 0.02301.VHubbard and Waddington, 1954Heat of combustion calculated author's U=-675.17; ALS
7.563301.66VScott, Finke, et al., 1951, 2ALS
7.24338.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) β Tc (K) Reference Comment
302. to 340.11.260.298553.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
296.58 to 373.974.057681182.562-48.366Osborn and Douslin, 1966

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.33167.2Domalski and Hearing, 1996AC

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:


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:
LL - Sharon G. Lias and Joel F. Liebman
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 C3H8S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.55 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)202.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity194.9kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.46CTSAloisi, Santini, et al., 1974LLK
8.5 ± 0.1EIKeyes and Harrson, 1968RDSH
8.55 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
10.96EIVorob'ev, Furlei, et al., 1989Vertical value; LL
8.54PEAue and Bowers, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+15.9 ± 0.4?EIHobrock and Kiser, 1962RDSH
CH2S+13.6 ± 0.3?EIHobrock and Kiser, 1962RDSH
CH3+17.6 ± 0.5?EIHobrock and Kiser, 1962RDSH
CH3S+14.7 ± 0.2?EIHobrock and Kiser, 1962RDSH
CH4S+10.4 ± 0.1?EIKeyes and Harrson, 1968RDSH
CH5S+10.7 ± 0.3?EIKeyes and Harrson, 1968RDSH
C2H2+17.8 ± 0.5?EIHobrock and Kiser, 1962RDSH
C2H3+16.0 ± 0.4?EIHobrock and Kiser, 1962RDSH
C2H3S+13.4 ± 0.4?EIHobrock and Kiser, 1962RDSH
C2H5+14.1 ± 0.2?EIHobrock and Kiser, 1962RDSH
C2H5S+10.74CH3EIKeyes and Harrson, 1968RDSH

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-2718
NIST MS number 230497

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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 and Waddington, 1954
Hubbard, W.N.; Waddington, G., The heat of combustion, formation and isomerization of propanethiol-1, propane-thiol-2 and 2-thiabutane, Rec. Trav. Chim. Pays/Bas, 1954, 73, 910. [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]

Pochinok and Limarenko, 1955
Pochinok, Ya.; Limarenko, A.P., Alkylation of Mercaptans with Alkylaryltriazines, Ukrain. Khim. Zh., 1955, 21, 628-30. [all data]

Mcallan, Cullum, et al., 1951
Mcallan, D.T.; Cullum, T.V.; Dean, R.A.; Fidler, F.A., The Preparation and Properties of Sulfur Compounds Related to Petroleum I. The Dialkyl Sulfides and Disulfides, J. Am. Chem. Soc., 1951, 73, 3627-32. [all data]

Trotter and Thompson, 1946
Trotter, I.F.; Thompson, H.W., Infrared SPectra of Thiols, Sulfides, and Disulfides, J. Chem. Soc., 1946, 1946, 481. [all data]

Scott, Finke, et al., 1951
Scott, D.W.; Finke, H.L.; McCullough, J.P.; Gross, M.E.; Williamson, K.D.; Waddington, G.; Huffman, H.M., Thermodynamic Properties and Rotational Isomerism of 2-Thiabutane, J. Am. Chem. Soc., 1951, 73, 261-5. [all data]

Shimizu, Saito, et al., 1981
Shimizu, M.; Saito, Y.; Kusano, K., , Preprints 17th Conf. Chem. Thermodyn. Thermal Anal., Japan, 1981, 50. [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]

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]

Hubbard and Waddington, 2010
Hubbard, Ward N.; Waddington, Guy, The heats of combustion, formation and isomerization of propanethiol-1, propane-thiol-2 and 2-thiabutane, Recl. Trav. Chim. Pays-Bas, 2010, 73, 11, 910-923, https://doi.org/10.1002/recl.19540731107 . [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]

Scott, Finke, et al., 1951, 2
Scott, D.W.; Finke, H.L.; McCullough, J.P.; Gross, M.E.; Williamson, K.D.; Waddington, G.; Huffman, H.M., Thermodynamic properties and rotational isomerism of 2-thiabutane, J. Am. Chem. Soc., 1951, 73, 261-265. [all data]

Mackle, Mayrick, et al., 1960
Mackle, H.; Mayrick, R.G.; Rooney, J.J., Measurement of heats of vaporization by the method of gas-liquid chromatography, Trans. Faraday Soc., 1960, 56, 115, https://doi.org/10.1039/tf9605600115 . [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]

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]

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]

Aloisi, Santini, et al., 1974
Aloisi, G.G.; Santini, S.; Sorriso, S., Molecular complexes of substituted diphenyl sulphides with π acceptors. Charge transfer spectra and ionization potentials of the donors, J. Chem. Soc. Faraday Trans. 1, 1974, 70, 1908. [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]

Vorob'ev, Furlei, et al., 1989
Vorob'ev, A.S.; Furlei, I.I.; Sultanov, A.S.; Khvostenko, V.I.; Leplyanin, G.V.; Derzhinskii, A.R.; Tolstikov, G.A., Mass spectrometry of reasonance capture of electrons and photoelectron spectroscopy of molecules of ethylene oxide, ethylene sulfide, and their derivatives, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1989, 1388. [all data]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

Hobrock and Kiser, 1962
Hobrock, B.G.; Kiser, R.W., Electron impact spectroscopy of sulfur compounds. I. 2-Thiabutane, 2-thiapentane, and 2,3-dithiabutane, J. Phys. Chem., 1962, 66, 1648. [all data]


Notes

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