Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9693992 | Thermochimica Acta | 2005 | 12 Pages |
Abstract
The sublimation enthalpy for the compound at T = 303.0 K was measured in a differential heat-conducting microcalorimeter of the Calvet type, ÎsubHm°(303.0K)=71.77±0.31kJmolâ1, which agrees with the value obtained by the effusion measurements, ÎsubHm°(298.1K)=71.6±1.1kJmolâ1, within the experimental errors. The molar thermodynamic functions of 1-bromoadamantane in the ideal gaseous state were calculated by the statistical thermodynamic method. The complete set of the fundamentals necessary for the above calculations was made up from the experimental IR and Raman spectral data and the results of DFT calculations (B3LYP/6-31G*). The enthalpy of formation for 1-bromoadamantane was evaluated in terms of three different approaches. The thermodynamic analysis of some reactions with 1-bromoadamantane was performed.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Fluid Flow and Transfer Processes
Authors
Ala B. Bazyleva, Gennady J. Kabo, Yauheni U. Paulechka, Dzmitry H. Zaitsau, Andrey V. Blokhin, Viktor M. Sevruk,