Thermodynamics Research Center / ThermoML | Thermochimica Acta

Heat capacity and enthalpy of indapamide

Skotnicki, M., Drogon, A., Calvin, J.J., Rosen, P.F., Woodfield, B.F., Pyda, M.
Thermochim. Acta 2019, 674, 36-43
ABSTRACT
The heat capacities and total enthalpy of anhydrous indapamide (IND, CAS no.: 26807-65-8) are reported from temperature 1.84 to 523.15 K measured by a Quantum Design Physical Property Measurement System(R) (PPMS) and differential scanning calorimetry (DSC). The low-temperature experimental heat capacities of crystalline IND from 1.84 to 302.65 K were measured by PPMS and fit to a theoretical model in the low temperature range (T less than 7.68 K), orthogonal polynomials in the middle temperature range (7.68 less than T less than 54.15 K), and a combination of Debye and Einstein functions in the high temperature range (T greater than 54.15 K). The calculated heat capacities were extended to a higher temperature to be used as a reference line of solid heat capacity, cp(solid). The experimental heat capacity of liquid, cp(liquid) for amorphous indapamide above the glass transition (Tg(midpoint on cooling) = 369.7 +- 0.6 K) was approximated by linear regression and was expressed as cp(liquid) = (0.954 + 0.0023T) J*K-1 g-1. The solid and liquid heat capacities of IND were applied as reference lines for advanced thermal analysis of the experimental, apparent heat capacity data measured by DSC. The change in heat capacity (deltacp) of 0.46 J*K-1 g-1 at Tg for fully amorphous IND and heat of fusion deltafush = 77.5 +- 0.7 J*g-1 at melting temperature (Tm = 439.7 +- 0.4 K) of 100% crystalline anhydrous IND were determined. Knowing equilibrium parameters of phase transitions of amorphous and crystalline forms of IND and heat capacities of solid and liquid IND, total enthalpies for both phases were calculated. Data for unaged and physically aged at 358.15 K for 32 h amorphous IND were presented in the context of absolute heat capacity and integral equilibrium enthalpy of solid and liquid IND phases.
Compounds
# Formula Name
1 C16H16ClN3O3S Indapamide
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
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • RELAXCAL
  • 93
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • DSC
  • 194
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 144
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Glass
  • Temperature, K; Glass
  • Pressure, kPa; Glass
  • Glass
  • DSC
  • 115
  • POMD
  • 1
  • Molar enthalpy, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • RELAXCAL
  • 45
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • RELAXCAL
  • 45
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Glass
  • Temperature, K; Glass
  • Pressure, kPa; Glass
  • Glass
  • RELAXCAL
  • 45
  • POMD
  • 1
  • Molar enthalpy, kJ/mol ; Glass
  • Temperature, K; Glass
  • Pressure, kPa; Glass
  • Glass
  • RELAXCAL
  • 46
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 24
  • POMD
  • 1
  • Molar enthalpy, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 24
  • POMD
  • 1
  • Molar enthalpy, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • DSC
  • 23
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • DSC
  • 23
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Glass
  • Temperature, K; Glass
  • Pressure, kPa; Glass
  • Glass
  • DSC
  • 7
  • POMD
  • 1
  • Molar enthalpy, kJ/mol ; Glass
  • Temperature, K; Glass
  • Pressure, kPa; Glass
  • Glass
  • DSC
  • 7