1 research outputs found
Thermodynamic Properties of 1,4-Benzoquinones in Gaseous and Condensed Phases: Experimental and Theoretical Studies
A complete study of thermodynamic
properties of 1,4-benzoquinones
in the condensed and gaseous phases was carried out using experimental
techniques and theoretical approaches. Enthalpies of combustion and
formation of 2-methyl-1,4-benzoquinone were evaluated using combustion
calorimetry. The transpiration method was utilized to determine the
temperature dependence of the vapor pressures of 1,4-benzoquinone
and 2-methyl-1,4-benzoquinone for the sublimation and vaporization
enthalpies calculation. The group additivity scheme was used independently
for verification of sublimation enthalpy of 2-methyl-1,4-benzoquinone.
For this procedure the enthalpy of solution of 2-methyl-1,4-benzoquinone
in benzene was measured at 298.15 K. The experimental values obtained
were combined with published data and organized to obtain a reliable
set of the experimental enthalpies of formation and enthalpies of
phase transition of compounds. The methods of quantum chemistry and
statistical physics based on the “rigid rotator–anharmonic
oscillator” model were used to calculate thermodynamic functions
of 1,4-benzoquinones in the ideal gas state in the temperature range
273.15–1500 K. The strain enthalpy and the enthalpy of π-conjugation
were also estimated