Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Heat capacities of aqueous polar aromatic compounds over a wide range of conditions. Part I: phenol, cresols, aniline, and toluidines

Censky, M.[Miroslav], Hnedkovsky, L.[Lubomir], Majer, V.[Vladimir]
J. Chem. Thermodyn. 2005, 37, 3, 205-219
ABSTRACT
The heat capacities of dilute aqueous solutions of phenol (hydroxybenzene), three cresols (2-, 3- and 4-methylhydroxybenzene), aniline (aminobenzene) and three toluidines (2-, 3- and 4-methylaminobenzene) were determined using a modified flow Picker-type high temperature calorimeter. The measurements were performed at temperatures between (303 and 623) K or 573 K for compounds containing hydroxy or amino group, respectively, and at several pressures up to 30 MPa. Standard heat capacities (partial molar heat capacities at infinite dilution) obtained from the experimental data exhibit a strong increase with temperature above 500 K consistent with the evolution of the standard volumes reported earlier. The data for aqueous phenol were used for testing several semiempiric models proposed for description of the standard thermodynamic properties of aqueous solutes. Their ability to reproduce the temperature and pressure dependence of standard heat capacities and to extrapolate towards higher conditions were examined.
Compounds
# Formula Name
1 C6H6O phenol
2 H2O water
3 C7H8O 2-methylphenol
4 C7H8O 3-methylphenol
5 C7H8O 4-methylphenol
6 C6H7N aniline
7 C7H9N 2-methylaniline
8 C7H9N 3-methylaniline
9 C7H9N 4-methylaniline
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
  • 2
  • Specific heat capacity at constant pressure, J/K/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Molality, mol/kg - 1; Liquid
  • Liquid
  • FLOW:UFactor:4
  • 165
  • POMD
  • 3
  • 2
  • Specific heat capacity at constant pressure, J/K/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Molality, mol/kg - 3; Liquid
  • Liquid
  • FLOW:UFactor:4
  • 74
  • POMD
  • 4
  • 2
  • Specific heat capacity at constant pressure, J/K/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Molality, mol/kg - 4; Liquid
  • Liquid
  • FLOW:UFactor:4
  • 73
  • POMD
  • 5
  • 2
  • Specific heat capacity at constant pressure, J/K/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Molality, mol/kg - 5; Liquid
  • Liquid
  • FLOW:UFactor:4
  • 69
  • POMD
  • 6
  • 2
  • Specific heat capacity at constant pressure, J/K/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Molality, mol/kg - 6; Liquid
  • Liquid
  • FLOW:UFactor:4
  • 44
  • POMD
  • 7
  • 2
  • Specific heat capacity at constant pressure, J/K/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Molality, mol/kg - 7; Liquid
  • Liquid
  • FLOW:UFactor:4
  • 23
  • POMD
  • 8
  • 2
  • Specific heat capacity at constant pressure, J/K/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Molality, mol/kg - 8; Liquid
  • Liquid
  • FLOW:UFactor:4
  • 19
  • POMD
  • 9
  • 2
  • Specific heat capacity at constant pressure, J/K/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Molality, mol/kg - 9; Liquid
  • Liquid
  • FLOW:UFactor:4
  • 21