Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Low-temperature heat capacity of Ir(C5H7O2)(C8H12)

Bespyatov, M. A., Kuzin, T. M., Naumov, V. N., Vikulova, E. S., Ilyin, I. Y., Morozova, N. B., Gelfond, N. V.
J. Chem. Thermodyn. 2016, 99, 70-74
ABSTRACT
Iridium(I) (acetylacetonato)(1,5-cyclooctadiene) complex, Ir(C5H7O2)(C8H12), was synthesized and characterized by elemental CH-analysis, NMR, X-ray spectroscopy. The heat capacity of compound Ir (C5H7O2)(C8H12) has been measured by the adiabatic method within the temperature range (6 318) K. The thermodynamic functions: entropy, enthalpy and reduced Gibbs energy have been calculated. They have the following values at 298.15 K: C p = (323.6 +- 0.6) J K 1 mol 1, D0 298.15S m = (347.0 +- 0.9) J K 1 mol 1, D0 298.15H m = (50.82 +- 0.09) kJ mol 1, U m = (176.5 +- 0.7) J K 1 mol 1. The value of the absolute entropy were used to calculate the entropy of formation of Ir(C5H7O2)(C8H12) at T = 298.15 K. An anomaly of heat capacity has been discovered with a maximum at Tc = 287.20 K, which points to the phase transition of the complex. Anomalous contributions to entropy and enthalpy have been revealed.
Compounds
# Formula Name
1 C13H19IrO2 (acetylacetonato)(1,5-cyclooctadiene)iridium(I)
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 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • Adiabatic calorimetry
  • 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
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Vacuum adiabatic calorimetry
  • 77
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Vacuum adiabatic calorimetry
  • 16
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Vacuum adiabatic calorimetry
  • 37
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Vacuum adiabatic calorimetry
  • 36
  • POMD
  • 1
  • Molar enthalpy, kJ/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Vacuum adiabatic calorimetry
  • 36
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Vacuum adiabatic calorimetry
  • 10
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Vacuum adiabatic calorimetry
  • 6
  • POMD
  • 1
  • Molar enthalpy, kJ/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Vacuum adiabatic calorimetry
  • 6