Benzene, bromopentafluoro-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-800.4kJ/molSemiStewart, 2004 
Δfgas-712.0 ± 5.6kJ/molCcbKrech, Price, et al., 1977Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -712. ± 17. kJ/mol; Uc=-2137.78 kJ/mol; ALS

Phase change data

Go To: Top, Gas 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil410.KN/AFarchan Laboratories, 1990BS
Tboil410.KN/APCR Inc., 1990BS
Tboil410.2KN/AWeast and Grasselli, 1989BS
Tboil410.KN/AAmerican Tokyo Kasei, 1988BS
Quantity Value Units Method Reference Comment
Δvap43.05 ± 0.21kJ/molVKrech, Price, et al., 1977Uc=-2137.78 kJ/mol; ALS
Δvap43.1 ± 0.2kJ/molN/AKrech, Price, et al., 1977Based on data from 283. - 348. K.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
38.2415.AStephenson and Malanowski, 1987Based on data from 400. - 522. K. See also Dykyj, 1972.; AC
38.0429.EBWoodman and Adicoff, 1969Based on data from 414. - 522. K.; 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
414.76 - 521.344.174051447.605-62.609Evans and Tiley, 1966Coefficents calculated by NIST from author's data.

Mass spectrum (electron ionization)

Go To: Top, Gas 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-NW-6009
NIST MS number 235806

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References

Go To: Top, Gas 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.

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

Krech, Price, et al., 1977
Krech, M.J.; Price, S.J.W.; Sapiano, H.J., Determination of ΔH12980(C6F5Br,g)from studies of the combustion of bromopentafluorobenzene in oxygen and calculation of D[C6F5-Br], Can. J. Chem., 1977, 55, 4222-4226. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [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]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [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]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [all data]

Woodman and Adicoff, 1969
Woodman, Alan L.; Adicoff, Arnold, Vapor pressure of methyl 2-cyanoacrylate, J. Chem. Eng. Data, 1969, 14, 4, 479-480, https://doi.org/10.1021/je60043a019 . [all data]

Evans and Tiley, 1966
Evans, F.D.; Tiley, Vapour Pressures and Critical Constants of Hexafluoro-, Pentafluoro-, Chloropentafluoro-, and Bromopentafluoro-benzene, J. Chem. Soc. B:, 1966, 134-136, https://doi.org/10.1039/j29660000134 . [all data]


Notes

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