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Benzene, 1,3,5-trichloro-2,4,6-trifluoro-

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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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
solid,1 bar243.3J/mol*KN/AAndon and Martin, 1973 
solid,1 bar245.35J/mol*KN/APaukov and Glukhikh, 1969 

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
197.0298.15Andon and Martin, 1973T = 14 to 347 K.
197.95298.15Paukov and Glukhikh, 1969T = 13 to 355 K.

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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Ttriple335.01KN/AAndon and Martin, 1973, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple334.16KN/APaukov and Glukhikh, 1969, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc684.8KN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Pc32.70barN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.40 bar; TRC
Quantity Value Units Method Reference Comment
Deltavap53.8kJ/molN/ABoublik, Fried, et al., 1984Based on data from 364. - 550. K. See also Basarová and Svoboda, 1991.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
352.70.016Aldrich Chemical Company Inc., 1990BS
352.60.016PCR Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
49.2379.AStephenson and Malanowski, 1987Based on data from 364. - 496. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
19.830335.01Andon and Martin, 1973Anomalous heat capacity between 285 and 305 K. Enthalpy of transition 18.1 J/mol (excess over extrapolated heat capacities).; DH
19.849334.16Paukov and Glukhikh, 1969Smoothed table gives H = 4712 cal/mol, S = 14.12 cal/mol*K.; DH
19.83335.Acree, 1991AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
59.19335.01Andon and Martin, 1973Anomalous; DH
59.40334.16Paukov and Glukhikh, 1969Smoothed; DH

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:


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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.3PEMaier and Thommen, 1982LBLHLM
9.48 ± 0.02PEMohraz, Maier, et al., 1980LLK

Mass spectrum (electron ionization)

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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: 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 Chuck Anderson, Aldrich Chemical Co.
NIST MS number 107561

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UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source (editor), 1967
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 18954
Instrument SFD-2
Melting point 62.2-63.0

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Andon and Martin, 1973
Andon, R.J.L.; Martin, J.F., Thermodynamic properties of fluorine compounds. Part 12. Low-temperature heat capacity and entropy of 1,3,5-trichloro-2,4,6-trifluorobenzene, J. Chem. Soc. Faraday Trans., 1973, I 69, 871-875. [all data]

Paukov and Glukhikh, 1969
Paukov, I.E.; Glukhikh, L.K., The true heat capacity in the range 13-350°K and the absolute entropy and enthalpy of 1,3,5-trichloro-2,4,6-trifluorobenzene, Zhur. Fiz. Khim., 1969, 43, 226-228. [all data]

Andon and Martin, 1973, 2
Andon, J.L.; Martin, J.F., Thermodynamic properties of fluorine compounds: xii low-temperature heat capacity and entropy of 1,3,5-trichloro-2,4,6-trifluorobenzene, J. Chem. Soc., Faraday Trans. 1, 1973, 69, 871. [all data]

Paukov and Glukhikh, 1969, 2
Paukov, I.E.; Glukhikh, L.K., The true heat capacity in the range 13-350 c and the absolute entropy and enthalpy of 1,3,5-trichloro-2,4,6-trifluorobenzene, Zh. Fiz. Khim., 1969, 43, 226-8. [all data]

Ambrose, Broderick, et al., 1974
Ambrose, D.; Broderick, B.E.; Townsend, R., The Critical Temperatures and Pressures of Thirty Organic Compounds, J. Appl. Chem. Biotechnol., 1974, 24, 359. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Basarová and Svoboda, 1991
Basarová, Pavlína; Svoboda, Václav, Calculation of heats of vaporization of halogenated hydrocarbons from saturated vapour pressure data, Fluid Phase Equilibria, 1991, 68, 13-34, https://doi.org/10.1016/0378-3812(91)85008-I . [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]

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

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Maier and Thommen, 1982
Maier, J.P.; Thommen, F., Photoelectron-photoion coincidence studies of halobenzene cations in their excited electronic states, J. Chem. Phys., 1982, 77, 4427. [all data]

Mohraz, Maier, et al., 1980
Mohraz, M.; Maier, J.P.; Heilbronner, E., He(I «alpha») and He(I«alpha») photoelectron spectra of fluorinated chloro- and bromobenzenes, J. Electron Spectrosc. Relat. Phenom., 1980, 19, 429. [all data]

(editor), 1967
(editor), Koptyug V.A., Atlas of Spectra of Aromatic and Heterocyclic Compounds, 1967, 1, 21. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References