Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental and topological determination of the pressure-temperature phase diagram of morniflumate, a pharmaceutical ingredient with anti-inflammatory properties

Barrio, M., Tamarit, J.-L., Ceolin, R., Robert, B., Guechot, C., Teulon, J.-M., Rietveld, I. B.
J. Chem. Thermodyn. 2017, 112, 308-313
ABSTRACT
The pressure-temperature phase diagram of morniflumate (niflumic acid b-morpholinoethyl ester) has been obtained by high-pressure thermal analysis. In addition, calorimetric melting data (TIL = (348.1 +- 0.4) K and DHIL = (89 +- 2) J g 1) and the specific volumes of the solid and the liquid state have been obtained under normal pressure. Comparison of the measured high-pressure melting data with the equilibrium curve obtained through the Clapeyron equation indicates that the initial slopes are the same (dP/dT = (2.96 +- 0.06) MPa K 1) at the melting point under normal pressure. The fact that the Clapeyron equation can be used to construct topological phase diagrams may be of interest for the food and pharmaceutical industries.
Compounds
# Formula Name
1 C19H20F3N3O3 2-morpholinoethyl 2-((3-(trifluoromethyl)phenyl)amino)nicotinate
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Solid-liquid equilibrium temperature, K ; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Liquid
  • DTA
  • 9
  • POMD
  • 1
  • Specific volume, m3/kg ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • X-ray diffraction
  • 19
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 17