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Thermodynamic functions for halogenated benzenes Butler, Jeremy Bruford


The availability of molecular structural and spectrographic data has enabled the calculation of the ideal gas thermodynamic functions [formula omitted] for thirty eight halogenated benzenes. The thermodynamic functions are given for temperatures between 273.15° K. and 1500° K., at one atmosphere. The contribution of the anharmonicity effect to the thermodynamic properties is discussed. Additionally, a method is described for making real gas corrections to the ideal gas thermodynamic functions, however, only over a limited range of pressure and temperature (15 atm. to 0.25 atm. 273.15° K. to 1000° K.). This method, based on the Berthelot equation of state, requires the critical temperature and pressure, which are summarised in this work for several of the halogenated benzenes. As an example of the method, the real gas thermodynamic functions for fluorobenzene are shown, at pressures between 10 atm. and 0.25 atm. Finally the thermal stability of the halogenated benzenes is discussed and the temperatures over which the ideal gas thermodynamic functions are applicable are indicated.

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