Low temperature heat capacity of (S)-ibuprofen

Molar heat capacities of ( S)-ibuprofen were precisely measured with a small sample precision automated adiabatic calorimeter over the temperature range from 80 to 370 K. Experimental heat capacities were fitted into a polynomial equation of heat capacities ( C-p,C- m) with reduced temperature ( X), [ X = f(T)]. The polynomial equations for ( S)-ibuprofen were C-p,C- m(s) = - 39.483 X-4 - 66. 649 X-3 + 95. 196 X-2 + 210. 84 X + 172. 98 in solid state and C-p,C- m(L) = 7. 191X(3) + 4. 2774 X-2 + 56. 365 X + 498. 5 in liquid state. The thermodynamic functions relative to the reference temperature of 298. 15 K, H-T - H-298.15 and S-T - S-298.15, were derived for the( S)-ibuprofen. A fusion transition at T-m = (324. 15 +/- 0. 02) K was found from the C-p - T curve. The molar enthalpy and entropy of the fusion transition were determined to be (18. 05 +/- 0. 31) kJ.mol(-1) and (55. 71 +/- 0. 95) J.mol(-1).K-1, respectively. The purity of the ( S)-ibuprofen was determined to be 99. 44% on the basis of the heat capacity measurement. Finally, the heat capacities of ( S)-ibuprofen and racemic ibuprofen were compared.

Determination of heat capacities and thermodynamic properties of 2-(chloromethylthio)benzothiazole by an adiabatic calorimeter

The molar heat capacities of 2-(chloromethylthio)benzothiazole (molecular formula C8H6ClNS2, CA registry no. 28908-00-1) were measured with an adiabatic calorimeter in the temperature range between (80 and 350) K. The construction and procedures of the calorimeter were described in detail. The performance of the calorimetric apparatus was evaluated by heat capacity measurements on alpha-Al2O3. The deviation of experiment heat capacities from the corresponding smoothed values lies within 0.3%, whereas the uncertainty is within +/-0.5%, compared with that of the recommended reference data over the whole experimental temperature range. A fusion transition was found from the C-p-T curve of 2-(chloromethylthio)benzothiazole. The melting temperature and the molar enthalpy and entropy of fusion of the compound were determined to be T-m = (315.11 +/- 0.04) K, Delta(fus)H(m) = (17.02 +/- 0.03) kJ(.)mol(-1), and Delta(fus)S(m) = (54.04 +/- 0.05) J(.)mol(-1.)K(-1), respectively. The thermodynamic functions (H-T - H-298.15) and (S-T - S-298.15) were also derived from the heat capacity data. The molar fraction purity of the 2-(chloromethylthio)benzothiazole sample used in the present calorimetric study was determined to be 99.21 by fraction melting.

Thermodynamic properties of ethanol and gasoline blended fuel

The heat capacities (C-p) of five types of gasohol (50 wt % ethanol and 50 wt % unleaded gasoline 93(#) (E50), 60 wt % ethanol and 40 wt % unleaded gasoline 93(#) (E60), 70 wt % ethanol and 30 wt % unleaded gasoline 93(#) (E70), 80 wt % ethanol and 20 wt % unleaded gasoline 93(#) (E80), and 90 wt % ethanol and 10 wt % unleaded gasoline 93(#) (E90), where the "93" denotes the octane number) were measured by adiabatic calorimetry in the temperature range of 78-320 K. A glass transition was observed at 95.61, 96.14, 96.56, 96.84, and 97.08 K for samples from the E50, E60, E70, E80, and E90 systems, respectively. A liquid-solid phase transition and a solid-liquid phase transition were observed in the respective temperature ranges of 118-153 and 155-163 K for E50, 117-150 and 151-164 K for E60, 115-154 and 154-166 K for E70, 113-152 and 152-167 K for E80, and 112-151 and 1581-167 K for E90. The polynomial equations of Cp and the excess heat capacities (C-p(E)), with respect to the thermodynamic temperature, were established through least-squares fitting. Based on the thermodynamic relationship and the equations obtained, the thermodynamic functions and the excess thermodynamic functions of the five gasohol samples were derived.