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Halothane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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-167.3 ± 0.91kcal/molCcrPapina, Erastov, et al., 1981Reanalyzed by Kolesov and Papina, 1983, Original value = -165.0 ± 1.2 kcal/mol

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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:
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-172.1 ± 1.2kcal/molCcrPapina, Erastov, et al., 1981ALS
Quantity Value Units Method Reference Comment
Deltacliquid-182.0 ± 0.76kcal/molCcrPapina, Erastov, et al., 1981ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
37.43298.15Vesely, Zabransky, et al., 1988T = 298 to 318 K. Cp(J/mol*K) = 107.69 + 0.1639(T/K) (298 to 318 K).; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil323.4KN/AAldrich Chemical Company Inc., 1990BS
Tboil596.4KN/AFrancesconi, Comelli, et al., 1990Uncertainty assigned by TRC = 0.4 K; TRC
Tboil323.KN/APCR Inc., 1990BS
Tboil323.3KN/AMajer and Svoboda, 1985 
Tboil323.42KN/APashchenko and Varushchenko, 1985Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Tfus157.4KN/AGolovanova and Kolesov, 1984Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc496.3KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Deltavap7.12kcal/molN/AMajer and Svoboda, 1985 
Deltavap7.12 ± 0.1kcal/molN/AVarushchenko, Druzhinina, et al., 2007Based on data from 302. - 323. K. See also Pashchenko and Varushchenko, 1985.; AC
Deltavap7.065 ± 0.079kcal/molVPapina, Erastov, et al., 1981ALS
Deltavap7.07 ± 0.07kcal/molN/APapina, Erastov, et al., 1981AC
Deltavap7.07 ± 0.02kcal/molCMajer, Svoboda, et al., 1980AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
6.711323.3N/AMajer and Svoboda, 1985 
7.17310.AStephenson and Malanowski, 1987Based on data from 298. - 323. K.; AC
7.93237.AStephenson and Malanowski, 1987Based on data from 222. - 329. K. See also Bottomley and Seiflow, 2007 and Dykyj, 1970.; AC
6.86 ± 0.02313.CMajer, Svoboda, et al., 1980AC
6.64 ± 0.02328.CMajer, Svoboda, et al., 1980AC
6.41 ± 0.02343.CMajer, Svoboda, et al., 1980AC
8.20242.N/AKudryashov and Savechenko, 1965Based on data from 227. - 318. 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
298. - 328.10.930.286496.3Majer 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
222.5 - 328.503.819541016.075-57.581Bottomley and Seiflow, 1963Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.157157.4Golovanova and Kolesov, 1984, 2DH
1.16154.7Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
7.34157.4Golovanova and Kolesov, 1984, 2DH

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:


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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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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-IW-6270
NIST MS number 238098

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References

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

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]

Kolesov and Papina, 1983
Kolesov, V.P.; Papina, T.S., Thermochemistry of Haloethanes, Russ. Chem. Rev., 1983, 52, 425. [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]


Notes

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