Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Heat Capacities of Tetracene and Pentacene

Fulem, M.[Michal], Lastovka, V.[Vaclav], Straka, M.[Martin], Ruzicka, K.[Kvetoslav], Shaw, J. M.[John M.]
J. Chem. Eng. Data 2008, 53, 9, 2175-2181
ABSTRACT
New solid state heat capacity data for tetracene and pentacene are reported in the temperature range (258 to 600) K. The heat capacity measurements were performed using the step method with a Setaram Micro DSC III calorimeter (Institute of Chemical Technology, Prague) and a Setaram TG-DSC 111 (University of Alberta) calorimeter. These new heat capacity data are shown to be in good agreement with one another and with several solid state constant-pressure heat capacity estimation methods and quantum mechanical calculations. The new results highlight errors in the solid state heat capacity and melting point databases for polynuclear aromatic hydrocarbons.
Compounds
# Formula Name
1 C18H12 2,3-benzanthracene
2 C22H14 2,3:6,7-dibenzanthracene
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
  • 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
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 3
  • Crystal 3
  • Crystal 2
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 3
  • Crystal 3
  • Crystal 2
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 3
  • Temperature, K; Crystal 3
  • Pressure, kPa; Crystal 3
  • Crystal 3
  • Small sample (50 mg) DSC
  • 40
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 3
  • Temperature, K; Crystal 3
  • Pressure, kPa; Crystal 3
  • Crystal 3
  • Small sample (50 mg) DSC
  • 14
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small sample (50 mg) DSC
  • 22
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 3
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small sample (50 mg) DSC
  • 30
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small sample (50 mg) DSC
  • 27