Thiirane

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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: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas82.3 ± 1.0kJ/molN/ASunner, 1963Value computed using ΔfHliquid° value of 52±1 kj/mol from Sunner, 1963 and ΔvapH° value of 30.3±0.2 kj/mol from missing citation.

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

Quantity Value Units Method Reference Comment
Tboil328.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil328.9KN/ALecat, 1947Uncertainty assigned by TRC = 0.5 K; TRC
Tboil329.KN/AJones and Reid, 1938Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Δvap30.3kJ/molN/AReid, 1972AC
Δvap30.3 ± 0.2kJ/molVGuthrie, Scott, et al., 1952ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
30.5306.AStephenson and Malanowski, 1987Based on data from 291. to 361. K. See also Guthrie, Scott, et al., 1952, 2 and Dykyj, Svoboda, et al., 1999.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
291.44 to 360.884.156261190.802-41.175Guthrie, Scott, et al., 1952, 2Coefficents calculated by NIST from author's data.

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

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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 C2H4S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)807.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity777.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.05PIPECOButler and Baer, 1983LBLHLM
9.04 ± 0.01PIButler and Baer, 1982LBLHLM
8.9 ± 0.1PEAue, Webb, et al., 1980LLK
8.9PEAue and Bowers, 1979LLK
9.00PESchweig and Thiel, 1973LLK
9.051 ± 0.006SBasco and Morse, 1973LLK
8.87 ± 0.15EIGallegos and Kiser, 1961RDSH
9.0EIVorob'ev, Furlei, et al., 1989Vertical value; LL
9.05PEFrost, Herring, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+11.07 ± 0.04CH3PIButler and Baer, 1982T = 298K; LBLHLM
CHS+11.13 ± 0.04CH3PIButler and Baer, 1982T = 0K; LBLHLM
CHS+12.3 ± 0.2CH3EIGallegos and Kiser, 1961RDSH
CH2+20.4 ± 0.5?EIGallegos and Kiser, 1961RDSH
CH2S+12.7 ± 0.2?EIGallegos and Kiser, 1961RDSH
C2H2+17.9 ± 0.5?EIGallegos and Kiser, 1961RDSH
C2H2S+15.0 ± 0.2?EIGallegos and Kiser, 1961RDSH
C2H3+14.0SHEIHaney and Franklin, 1968RDSH
C2H3S+10.7HPIPECOButler and Baer, 1983LBLHLM
C2H3S+11.4 ± 0.2HEIGallegos and Kiser, 1961RDSH
H2S+13.4C2H2EIHaney and Franklin, 1968RDSH
H2S+13.4 ± 0.1C2H2EIGallegos and Kiser, 1961RDSH
S+13.1 ± 0.2C2H4EIGallegos and Kiser, 1961RDSH

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Sunner, 1963
Sunner, S., Corrected heat of combustion and formation values for a number of organic sulphur compounds, Acta Chem. Scand., 1963, 17, 728-730. [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]

Lecat, 1947
Lecat, M., Orthobaric Azeotropes of Sulfides, Bull. Cl. Sci., Acad. R. Belg., 1947, 33, 160-82. [all data]

Jones and Reid, 1938
Jones, S.O.; Reid, E.E., The Addition of Sulfurl, Hydrogen Sulfide and Mercaptans to Unsaturated Hydrocarbons, J. Am. Chem. Soc., 1938, 60, 2452. [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]

Guthrie, Scott, et al., 1952
Guthrie, G.B., Jr.; Scott, D.W.; Waddington, G., Thiacyclopropane (ethylene sulfide): Infrared spectrum, vapor pressure and some thermodynamic properties, J. Am. Chem. Soc., 1952, 74, 2795-28. [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]

Guthrie, Scott, et al., 1952, 2
Guthrie, G.B.; Scott, D.W.; Waddington, Guy, Thiacyclopropane (Ethylene Sulfide): Infrared Spectrum, Vapor Pressure and Some Thermodynamic Properties 1, J. Am. Chem. Soc., 1952, 74, 11, 2795-2800, https://doi.org/10.1021/ja01131a028 . [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]

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]

Butler and Baer, 1983
Butler, J.J.; Baer, T., A photoionization study of organosulfur ring compounds: Thiirane, thietane and tetrahydrothiophene, Org. Mass Spectrom., 1983, 18, 248. [all data]

Butler and Baer, 1982
Butler, J.J.; Baer, T., Photoionization study of the heat of formation of HCS+, J. Am. Chem. Soc., 1982, 104, 5016. [all data]

Aue, Webb, et al., 1980
Aue, D.H.; Webb, H.M.; Davidson, W.R.; Vidal, M.; Bowers, M.T.; Goldwhite, H.; Vertal, L.E.; Douglas, J.E.; Kollman, P.A.; Kenyon, G.L., Proton affinities photoelectron spectra of three-membered-ring J. Heterocycl. Chem., J. Am. Chem. Soc., 1980, 102, 5151. [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]

Schweig and Thiel, 1973
Schweig, A.; Thiel, W., Photoionization cross sections: He I and He II photoelectron spectra of saturated three-membered rings, Chem. Phys. Lett., 1973, 21, 541. [all data]

Basco and Morse, 1973
Basco, N.; Morse, R.D., Analysis of the Rydberg transitions in ethylene sulphide, Chem. Phys. Lett., 1973, 20, 404. [all data]

Gallegos and Kiser, 1961
Gallegos, E.; Kiser, R.W., Electron impact spectroscopy of ethylene sulfide and ethylenimine, J. Phys. Chem., 1961, 65, 1177. [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]

Frost, Herring, et al., 1973
Frost, D.C.; Herring, F.G.; Katrib, A.; McDowell, C.A., The photoelectron spectrum of ethylene sulphide, Chem. Phys. Lett., 1973, 20, 401. [all data]

Haney and Franklin, 1968
Haney, M.A.; Franklin, J.L., Correlation of excess energies of electron-impact dissociations with the translational energies of the products, J.Chem. Phys., 1968, 48, 4093. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References