The crystal structure of ephedrine hydrochloride was determined by means of X-ray crystallography. The crystal system of the compound is monoclinic, and the space group is P21. Unit cell parameters are a=0.7308(6) nm, b=0.6124(5) nm, and c= 1.2618(11) nm; β=90°, β= 102°, and γ =90°; Z=2. Low-temperature heat capacities of the title compound were measured with an improved precision automated adiabatic calorimeter over a temperature range from 77 K to 396 K. A polynomial equation of the heat capacities as a function of temperature in the temperature region was fitted by the least-squares. Based on the fitted polynomial equation, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated and tabulated at the intervals of 5 K.
A new crystalline complex (C8H17NH3)2CdCI4(s) (abbreviated as CsCd(s)) is synthesized by liquid phase reaction. The crystal structure and composition of the complex are determined by single crystal X-ray diffraction, chemical analysis, and elementary analysis. It is triclinic, the space group is P-1 and Z = 2. The lattice potential energy of the title complex is calculated to be UpoT (CsCd(s))=978.83 kJ.mol^-1 from crystallographic data. Low-temperature heat capacities of the complex are measured by using a precision automatic adiabatic calorimeter over a temperature range from 78 K to 384 K. The temperature, molar enthalpy, and entropy of the phase transition for the complex are determined to be 307.3±0.15 K, 10.15±0.23 kJ.mol^-1, and 33.054-0.78 J.K^-1.mol^-1 respectively for the endothermic peak. Two polynomial equations of the heat capacities each as a function of temperature are fitted by using the leastsquare method. Smoothed heat capacity and thermodynamic functions of the complex are calculated based on the fitted polynomials.
This paper reports that 1-dodecylamine hydrobromide (1 C12H25NH3.Br)(s) has been synthesized using the liquid phase reaction method. The lattice potential energy of the compound 1-C12H25NH3.Br and the ionic vol- ume and radius of the 1-C12H25NH3+ cation are obtained from the crystallographic data and other auxiliary ther- modynamic data. The constant-volume energy of combustion of 1 C12H25NH3.Br(s) is measured to be AcUo(1 C12H25NH3.Br, s) = (7369.03-4-3.28) kJ.mo1-1 by means of an RBC-II precision rotating-bomb combustion calorime- ter at T=(298.15~0.001) K. The standard molar enthalpy of combustion of the compound is derived to be △cHo(1- C12H25NH3.Br, s)=- (7384.52±3.28) kJ.mo1-1 from the constant-volume energy of combustion. The standard molar enthalpy of formation of the compound is calculated to be △fHo(1-C12H25NH3.Br, s)=-(1317.86~3.67) kJ.mo1-1 from the standard molar enthalpy of combustion of the title compound and other auxiliary thermodynamic quantities through a thermochemical cycle.
This paper reports that the low-temperature heat capacities of pyridine-2,6-dicarboxylic acid were measured by a precision automatic calorimeter over a temperature range from 78 K to 380 K. A polynomial equation of heat capacities as a function of temperature was fitted by the least-squares method. Based on the fitted polynomial, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated and tabulated at intervals of 5 K. The constant-volume energy of combustion of the compound was determined by means of a precision rotating-bomb combustion calorimeter. The standard molar enthalpy of combustion of the compound was derived from the constant-volume energy of combustion. The standard molar enthalpy of formation of the compound was calculated from a combination of the datum of the standard molar enthalpy of combustion of the compound with other auxiliary thermodynamic quantities through a Hess thermochemical cycle.
A 2-pyrazine carboxylate lithium monohydrate [Li(pyza)(H2O)]n was synthesized in a mixed solution of redistilled water and anhydrous ethanol. X-Ray crystallography was applied to characterizing its crystal structure. Low temperature molar heat capacities were measured in a temperature range of from 78 K to 400 K with a precision automatic adiabatic calorimeter. Two polynomial equations of experimental molar heat capacity as a function of temperature were obtained by the least-squares method. The smoothed molar heat capacities and thermodynamic functions of the compound were calculated based on the fitted polynomial equations. In accordance with Hess's law, a reasonable thermochemical cycle was designed based on the preparation reaction of the target compound. The standard molar enthalpies of dissolution for the reactants and products of the designed thermochemical reaction were measured by an isoperibol solution-reaction calorimeter, and the enthalpy change of the reaction was obtained, i.e., △rHm^ Ф→=-(30.084±0.329) kJ/mol. The standard molar enthalpy of the formation of the target compound was determined as △fHm^ Ф→,{[Li(pyza)(H2O)n(S)} =-(260.844±1.178) kJ/mol based on the enthalpy change of the reaction and standard molar enthalpies of the formation of other reactants and products. In addition, UV-Vis spectroscopy and the data of the refractive indexes were used to confirm whether the designed Hess thermochemieal cycle was reasonable and reliable.
Low-temperature heat capacities of gramine (C11H14N2) were measured by a precision automated adiabatic calorimeter over the temperature range from 78 to 401 K. A polynomial equation of heat capacities as a function of temperature was fitted by least squares method. Based on the fitted polynomial, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated and tabulated at 5 K intervals. The constant-volume energy of combustion of the compound at T=298.15 K was measured by a precision oxygen-bomb combustion calorimeter as △cU=-(35336.7±13.9) j·g^-1. The standard molar enthalpy of combustion of the compound was determined to be △cHm=-(6163.2±2.4) kJ·mol^-1, according to the definition of combustion enthalpy. Finally, the standard molar enthalpy of formation of the compound was calculated to be △cHm=-(166.2±2.8) kJ·mol-1 in accordance with Hess law.