A. Bazyleva, A. Blokhin, Andrey G. Kabo
Mar 1, 2008
Citations
0
Influential Citations
31
Citations
Journal
The Journal of Chemical Thermodynamics
Abstract
Abstract The heat capacity of crystalline 1-aminoadamantane over the temperature range from (5 to 370) K, the temperatures and the enthalpies of its solid-to-solid phase transitions, T trs,1 = (241.4 ± 0.2) K and Δ trs, 1 H m ∘ = ( 1716 ± 10 ) J · mol - 1 ; T trs,2 = (284.6 ± 0.1) K and Δ trs, 2 H m ∘ = ( 5309 ± 5 ) J · mol - 1 , were obtained by the adiabatic calorimetry. The thermodynamic functions of the compound in the crystalline state were derived. The saturated vapour pressure and the sublimation enthalpy { Δ sub H m ∘ ( 298.15 K ) = ( 61.65 ± 0.63 ) kJ · mol - 1 } were determined from the results of the measurements by the effusion Knudsen method and by the transpiration method. The enthalpy of combustion and the enthalpy of formation for crystalline 1-aminoadamantane were measured in a static-bomb isoperibol combustion calorimeter: Δ c H m ∘ ( cr, 298.15 K ) = ( - 6169.2 ± 1.9 ) kJ · mol - 1 and Δ f H m ∘ ( cr, 298.15 K ) = ( - 195.4 ± 2.3 ) kJ · mol - 1 . The thermodynamic properties in the ideal gaseous state were calculated by the statistical thermodynamics method. The molecular and spectral data for 1-aminoadamantane were obtained from quantum-chemical calculations (B3LYP/6-31+G ∗ ) and from Raman and i.r. spectroscopic studies.