Halothane

• Formula: C₂HBrClF₃
• Molecular weight: 197.382
• IUPAC Standard InChI: InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H Copy

  
• IUPAC Standard InChIKey: BCQZXOMGPXTTIC-UHFFFAOYSA-N Copy
• CAS Registry Number: 151-67-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Ethane, 2-bromo-2-chloro-1,1,1-trifluoro-; Anestan; Fluktan; Fluorotane; Fluorothane; Fluothane; Ftorotan; Ftuorotan; Halan; Halotan; Halotano; Halothan; Halsan; Narcotan; Narcotane; Narkotan; CF3CHClBr; 1,1,1-Trifluoro-2-bromo-2-chloroethane; 2-Bromo-2-chloro-1,1,1-trifluoroethane; 1,1,1-Trifluoro-2-chloro-2-bromoethane; FREON 123B1; 1-Bromo-1-chloro-2,2,2-trifluoroethane; Bromochlorotrifluoroethane; 2,2,2-Trifluoro-1-chloro-1-bromoethane; Chalothane; Ethane, 1-bromo-1-chloro-2,2,2-trifluoro-; Narcotann ne-spofa; Rhodialothan; (.+/-.))-Halothane; Alotano; NSC 143490
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Enthalpy of vaporization

Δ_vapH = A exp(-βT_r) (1 − T_r)^β
    Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    T_r = reduced temperature (T / T_c)

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Antoine Equation Parameters

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

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Enthalpy of fusion

Entropy of fusion

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 compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

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.

Papina, Erastov, et al., 1981
Papina, T.S.; Erastov, P.A.; Kolesov, V.P., The enthalpies of formation of 1,1,1-trifluoro-2-chloro-2-bromoethane and 1,1,2-trifluoro-2-chloro-1-bromoethane, J. Chem. Thermodyn., 1981, 13, 683-689. [all data]

Vesely, Zabransky, et al., 1988
Vesely, F.; Zabransky, M.; Barcal, P.; Svoboda, V., Molar heat capacities of four liquid fluorinated and halogenated ethanes, J. Chem. Thermodynam., 1988, 20, 1283-1285. [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]

Francesconi, Comelli, et al., 1990
Francesconi, R.; Comelli, F.; Giacomo, D., Excess Enthalpy for the Binary System 1,3-Dioxolane + Halothane, J. Chem. Eng. Data, 1990, 35, 190. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 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]

Pashchenko and Varushchenko, 1985
Pashchenko, L.L.; Varushchenko, R.M., Zh. Obshch. Khim., 1985, 55, 721. [all data]

Golovanova and Kolesov, 1984
Golovanova, Y.G.; Kolesov, V.P., Enthalpies of melting, melting temperatures, and cryoscopic constants of some haloorganic compounds, Vestn. Mosk. Univ., Ser. 2: Khim., 1984, 25, 244. [all data]

Varushchenko, Druzhinina, et al., 2007
Varushchenko, R.M.; Druzhinina, A.I.; Kuramshina, G.M.; Dorofeeva, O.V., Thermodynamics of vaporization of some freons and halogenated ethanes and propanes, Fluid Phase Equilibria, 2007, 256, 1-2, 112-122, https://doi.org/10.1016/j.fluid.2007.02.017 . [all data]

Majer, Svoboda, et al., 1980
Majer, Vladimír; Svoboda, Václav; Posta, Antonín; Pick, Jirí, Determination of heats of vaporization and some other thermodynamic quantities for several fluorinated halogen derivatives of ethane and propane, Collect. Czech. Chem. Commun., 1980, 45, 11, 3063-3068, https://doi.org/10.1135/cccc19803063 . [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]

Bottomley and Seiflow, 2007
Bottomley, G.A.; Seiflow, G.H.P., Vapour pressure and vapour density of halothane (2-bromo-2-chloro-1,1,1-trifluoroethane), J. Appl. Chem., 2007, 13, 9, 399-402, https://doi.org/10.1002/jctb.5010130905 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Kudryashov and Savechenko, 1965
Kudryashov, I.V.; Savechenko, R.I., Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1965, 8, 602. [all data]

Bottomley and Seiflow, 1963
Bottomley, G.A.; Seiflow, G.H.F., Vapour Pressure and Vapour Density of Halothane (2-Bromo-2-Chloro-1,1,1-Trifluoroethane), J. Appl. Chem., 1963, 13, 9, 399-402, https://doi.org/10.1002/jctb.5010130905 . [all data]

Golovanova and Kolesov, 1984, 2
Golovanova, Yu.G.; Kolesov, V.P., Enthalpies of melting, melting temperatures, and cryoscopic constants of some haloorganic compounds, Vestn. Mosk Univ., Ser. 2: Khim., 1984, 25(3), 244-248. [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]

Dumas, Dupuis, et al., 1981
Dumas, J.-M.; Dupuis, P.; Pfister-Guillouzo, G.; Sandorfy, C., Ionization potentials and ultraviolet absorption spectra of fluorocarbon anesthetics, Can. J. Spectrosc., 1981, 26, 102. [all data]

Notes

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• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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