Thermodynamic properties of 1-aminoadamantane
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- 作者：Ala B. Bazyleva ; Andrey V. Blokhin ; Andrey G. Kabo ; Gennady J. Kabo ; Vladimir N. Emel’ ; yanenko ; Sergey P. Verevkin
- 关键词：1-Aminoadamantane ; Thermodynamic properties ; Heat capacity ; Saturated vapour pressure ; Sublimation enthalpy ; Enthalpy of formation ; Ideal gas
- 刊名：Journal of Chemical Thermodynamics
- 出版年：2008
- 出版时间：March 2008
- 年：2008
- 卷：40
- 期：3
- 页码：509-522
- 全文大小：314 K
文摘
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, Ttrs,1 = (241.4 ± 0.2) K and g src=""http://www.sciencedirect.com/cache/MiamiImageURL/B6WHM-4PJ6GN4-1-1F/0?wchp=dGLbVlb-zSkzk"" alt=""Click to view the MathML source"" align=""absbottom"" border=""0"" height=20 width=222> ; Ttrs,2 = (284.6 ± 0.1) K and g src=""http://www.sciencedirect.com/cache/MiamiImageURL/B6WHM-4PJ6GN4-1-1G/0?wchp=dGLbVlb-zSkzk"" alt=""Click to view the MathML source"" align=""absbottom"" border=""0"" height=20 width=214> , 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 g src=""http://www.sciencedirect.com/cache/MiamiImageURL/B6WHM-4PJ6GN4-1-1J/0?wchp=dGLbVlb-zSkzk"" alt=""Click to view the MathML source"" align=""absbottom"" border=""0"" height=20 width=333> 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:
. 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.