Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Kinetics of the (solid + solid) transformations for the piracetam trimorphic system: Incidence on the construction of the p-T equilibrium phase diagram

Corvis, Y.[Yohann], Spasojevic-de Bire, A.[Anne], Alzina, C.[Camille], Guiblin, N.[Nicolas], Espeau, P.[Philippe]
J. Chem. Thermodyn. 2016, 97, 167-172
ABSTRACT
The three common polymorphs of piracetam have been characterized by associating thermal analysis, Xray diffraction and densimetry. DSC experiments showed that the (solid + solid) transition temperature between Forms II and I and between Forms III and I is scan-rate dependent. The transition temperatures decrease when the DSC scan rate decreases and the thermodynamic temperatures were confirmed by isothermal X-ray diffraction. These new results in terms of temperature and enthalpy of transition allow us to propose a new equilibrium phase diagram establishing the relative thermodynamic stability of the three common polymorphs of piracetam as a function of the temperature and the pressure. The diagram suggests that Form II presents a small stability domain located just above the stability domain of Form I. As a consequence, Form I should transform into Form II, which itself can turn into Form III when placed under pressure.
Compounds
# Formula Name
1 C6H10N2O2 2-oxo-1-pyrrolidineacetamide
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
  • Mass density, kg/m3 ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • X-ray diffraction
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Metastable crystal
  • Temperature, K; Metastable crystal
  • Pressure, kPa; Metastable crystal
  • Metastable crystal
  • X-ray diffraction
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • X-ray diffraction
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Metastable crystal
  • Metastable crystal
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Metastable crystal
  • Metastable crystal
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • X-ray diffraction
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Metastable crystal
  • Metastable crystal
  • Crystal 1
  • Air at 1 atmosphere
  • X-ray diffraction
  • 1
  • POMD
  • 1
  • Molar volume, m3/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Crystal 1
  • Gas
  • X-ray diffraction
  • 9
  • POMD
  • 1
  • Molar volume, m3/mol ; Metastable crystal
  • Temperature, K; Metastable crystal
  • Metastable crystal
  • Gas
  • X-ray diffraction
  • 8
  • POMD
  • 1
  • Molar volume, m3/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Crystal 2
  • Gas
  • X-ray diffraction
  • 8
  • POMD
  • 1
  • Molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Vibrating tube method
  • 11