Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic properties of methylprednisolone aceponate

Knyazev, A. V., Emel'yanenko, V. N., Smirnova, N. N., Stepanova, O. V., Shipilova, A. S., Markin, A. V., Samosudova, Y. S.[Ya.S.], Gusarova, E. V., Knyazeva, S. S., Verevkin, S. P.
J. Chem. Thermodyn. 2016, 103, 244-248
ABSTRACT
In the present work, temperature dependence of heat capacity of methylprednisolone aceponate has been measured for the first time over the range from 7 K to 346 K by precision adiabatic vacuum calorimetry. Based on the experimental results, the thermodynamic functions of the methylprednisolone aceponate, namely, the heat capacity, enthalpy H (T) H (0), entropy S (T) S (0) and Gibbs function G (T) H (0) have been determined for the range from T/K0 333. The enthalpy of combustion ( 14304.4 +- 9.1) kJ mol 1 of the methylprednisolone aceponate was determined for the first time using high-precision combustion calorimeter. The standard molar enthalpy of formation in the crystalline state ( 1465.3 +- 9.8) kJ mol 1 of compound at 298.15 K was derived from the combustion experiments. Using a combination of the adiabatic and combustion calorimetry results the thermodynamic functions of formation of the folic acid dihydrate at T = 298.15 K and p = 0.1 MPa have been calculated.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 H2O water
3 O2 oxygen
4 C27H36O7 Methylprednisolone aceponate
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
  • 4
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small (less than 1 g) adiabatic calorimetry
  • 16
  • POMD
  • 4
  • Molar enthalpy, kJ/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small (less than 1 g) adiabatic calorimetry
  • 16
  • POMD
  • 4
  • Molar entropy, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small (less than 1 g) adiabatic calorimetry
  • 16
  • POMD
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Small (less than 1 g) adiabatic calorimetry
  • 23
  • POMD
  • 4
  • Molar enthalpy, kJ/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Small (less than 1 g) adiabatic calorimetry
  • 23
  • POMD
  • 4
  • Molar entropy, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Small (less than 1 g) adiabatic calorimetry
  • 23
  • POMD
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small (less than 1 g) adiabatic calorimetry
  • 72
  • POMD
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Small (less than 1 g) adiabatic calorimetry
  • 151
  • RXND
  • 4
  • 1
  • 2
  • 3
  • Specific internal energy of reaction at constant volume, J/g
  • Static bomb calorimetry
  • 1