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Thiophene, tetrahydro-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-8.02 ± 0.28kcal/molCcrDavies and Sunner, 1962see Sunner, 1963
Deltafgas-8.25 ± 0.36kcal/molCcrHubbard, Katz, et al., 1954Heat of combustion calculated author's U=-773.80

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-17.40 ± 0.28kcal/molCcrDavies and Sunner, 1962see Sunner, 1963; ALS
Deltafliquid-17.48 ± 0.35kcal/molCcrHubbard, Katz, et al., 1954Heat of combustion calculated author's U=-773.80; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-776.01 ± 0.25kcal/molCcrDavies and Sunner, 1962see Sunner, 1963; ALS
Deltacliquid-775.87 ± 0.31kcal/molCcrHubbard, Katz, et al., 1954Heat of combustion calculated author's U=-773.80; ALS
Quantity Value Units Method Reference Comment
liquid49.670cal/mol*KN/AHubbard, Finke, et al., 1952DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
33.499298.15Hubbard, Finke, et al., 1952T = 13 to 333 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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 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
Tboil393. ± 3.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus174.35KN/ADavies and Sunner, 1962, 2Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple176.98KN/AHubbard, Finke, et al., 1952, 2Uncertainty assigned by TRC = 0.06 K; TRC
Quantity Value Units Method Reference Comment
Tc632.KN/AMajer and Svoboda, 1985 
Tc632.KN/ACheng, McCoubrey, et al., 1962Uncertainty assigned by TRC = 1. K; extrapolated to zero time to correct for decompostion calibr. vs NPL thermometer J.C.McCoubrey, A.R.Ubbelohde Trans. Faraday Soc. 1960,56,114; TRC
Quantity Value Units Method Reference Comment
Deltavap9.3 ± 0.1kcal/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
8.284394.3N/AMajer and Svoboda, 1985 
8.87358.A,EBStephenson and Malanowski, 1987Based on data from 343. - 434. K. See also Hubbard, Finke, et al., 1952 and Osborn and Douslin, 1966.; AC
9.01346.EBWhite, Barnard--Smith, et al., 1952Based on data from 331. - 401. K.; AC

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
350. - 394.12.610.2624632.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 Comment
333.4 - 373.55.002901979.9812.346Eon, Pommier, et al., 1971Coefficents calculated by NIST from author's data.
344.33 - 433.604.11461401.939-53.543Osborn and Douslin, 1966 

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.7572176.98Hubbard, Finke, et al., 1952DH
1.76177.Lange, 1985AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
9.928176.98Hubbard, Finke, et al., 1952DH

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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

(C4H8S+ bullet Thiophene, tetrahydro-) + Thiophene, tetrahydro- = (C4H8S+ bullet 2Thiophene, tetrahydro-)

By formula: (C4H8S+ bullet C4H8S) + C4H8S = (C4H8S+ bullet 2C4H8S)

Quantity Value Units Method Reference Comment
Deltar7.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar18.cal/mol*KN/AHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated

(C4H9S+ bullet Thiophene, tetrahydro-) + Thiophene, tetrahydro- = (C4H9S+ bullet 2Thiophene, tetrahydro-)

By formula: (C4H9S+ bullet C4H8S) + C4H8S = (C4H9S+ bullet 2C4H8S)

Quantity Value Units Method Reference Comment
Deltar7.9kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar18.cal/mol*KN/AHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated

C4H9S+ + Thiophene, tetrahydro- = (C4H9S+ bullet Thiophene, tetrahydro-)

By formula: C4H9S+ + C4H8S = (C4H9S+ bullet C4H8S)

Quantity Value Units Method Reference Comment
Deltar16.9kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Deltar21.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

C4H8S+ + Thiophene, tetrahydro- = (C4H8S+ bullet Thiophene, tetrahydro-)

By formula: C4H8S+ + C4H8S = (C4H8S+ bullet C4H8S)

Quantity Value Units Method Reference Comment
Deltar16.9kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; «DELTA»rH<

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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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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.
NIST MS number 694

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References

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

Davies and Sunner, 1962
Davies, J.V.; Sunner, S., Heats of combustion and formation of thiolane and of the thiolenes, Acta Chem. Scand., 1962, 16, 1870-1876. [all data]

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]

Hubbard, Katz, et al., 1954
Hubbard, W.N.; Katz, C.; Waddington, G., A rotating combustion bomb for precision calorimetry. Heats of combustion of some sulfur-containing compounds, J. Phys. Chem., 1954, 58, 142. [all data]

Hubbard, Finke, et al., 1952
Hubbard, W.N.; Finke, H.L.; Scott, D.W.; McCullough, J.P.; Katz, C.; Gross, M.E.; Messerly, J.F.; Pennington, R.E.; Waddington, G., Thiacyclopentane: heat capacity, heats of fusion and vaporization, vapor pressure, entropy, heat of formation and thermodynamic functions, J. Am. Chem. Soc., 1952, 74, 6025-6030. [all data]

Davies and Sunner, 1962, 2
Davies, J.V.; Sunner, S., Heats of Combustion and Formation of Thiolane and the Thiolenes, Acta Chem. Scand., 1962, 16, 1870. [all data]

Hubbard, Finke, et al., 1952, 2
Hubbard, W.N.; Finke, H.L.; Scott, D.W.; McCullough, J.P.; Katz, C.; Gross, M.E.; Messerly, J.F.; Pennington, R.E.; Waddington, G., Thiacyclopentyane: Heat Capacity, Heats of Fusion and Vaporization, Vapor Pressure, Entropy, Heat of Formation and Thermo. Functions, J. Am. Chem. Soc., 1952, 74, 6025-30. [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]

Cheng, McCoubrey, et al., 1962
Cheng, D.C.H.; McCoubrey, J.C.; Phillips, D.G., Critical Temperatures of Some Organic Cyclic Compounds, Trans. Faraday Soc., 1962, 58, 224. [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]

White, Barnard--Smith, et al., 1952
White, P.T.; Barnard--Smith, D.G.; Fidler, F.A., Vapor Pressure--Temperature Relationships of Sulfur Compounds Related to Petroleum, Ind. Eng. Chem., 1952, 44, 6, 1430-1438, https://doi.org/10.1021/ie50510a064 . [all data]

Eon, Pommier, et al., 1971
Eon, C.; Pommier, C.; Guiochon, G., Vapor pressures and second virial coefficients of some five-membered heterocyclic derivatives, J. Chem. Eng. Data, 1971, 16, 4, 408-410, https://doi.org/10.1021/je60051a008 . [all data]

Lange, 1985
Lange, N.A., Lange's Handbook of Chemistry, 13th Edition, J.A. Dean, ed(s)., McGraw-Hill, New York, NY, 1985, 1792. [all data]

Hiraoka, Takimoto, et al., 1987
Hiraoka, K.; Takimoto, H.; Yamabe, S., Stabilities and Structures in Cluster Ions of Five-Membered Heterocyclic Compounds Containing O, N and S Atoms, J. Am. Chem. Soc., 1987, 109, 24, 7346, https://doi.org/10.1021/ja00258a018 . [all data]


Notes

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