1-Fluoro-3-(trifluoro-methyl)benzene

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-198.42 ± 0.26kcal/molCcrGood, Douslin, et al., 1959Reanalyzed by Cox and Pilcher, 1970, Original value = -193.24 kcal/mol
Quantity Value Units Method Reference Comment
Δcliquid-767.61 ± 0.14kcal/molCcrGood, Douslin, et al., 1959 

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
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
Tboil373.KN/APCR Inc., 1990BS
Tboil374.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Δvap9.07 ± 0.05kcal/molVGood, Douslin, et al., 1959ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.80328.AStephenson and Malanowski, 1987Based on data from 313. to 410. K. See also Dykyj and Vanko, 1970.; AC

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
313.60 to 410.4.127061305.633-57.392Good, Douslin, et al., 1959Coefficents calculated by NIST from author's data.

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.

Good, Douslin, et al., 1959
Good, W.D.; Douslin, D.R.; Scott, D.W.; George, A.; Lacina, J.L.; Dawson, J.P.; Waddington, G., Thermochemistry and vapor pressure of aliphatic fluorocarbons. A comparison of the C-F and C-H thermochemical bond energies, J. Phys. Chem., 1959, 63, 1133-1138. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]

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 and Vanko, 1970
Dykyj, J.; Vanko, A., Petrochemica, 1970, 10, 1, 3. [all data]


Notes

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