Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

The influence of the halogen atoms and acetyl group on vapour pressures and related properties of the p-haloacetophenones

Almeida, A. R. R. P.[Ana R. R. P.], Monte, M. J. S.[Manuel J. S.]
J. Chem. Thermodyn. 2016, 92, 118-125
ABSTRACT
This work reports experimental vapour pressures at different temperatures of four halogenated acetophenones. The liquid phase vapour pressures of p-fluoro and p-chloro acetophenones were measured, respectively, across the temperatures ranges (255.1 to 310.2) K and (271.6 to 335.0) K, using a static method based on capacitance diaphragm manometers. This experimental technique was also used to measure the vapour pressures of both (crystalline and liquid) condensed phases of p-bromo- and piodoacetophenones, respectively, through the temperature intervals (295.3 to 378.4) K and (313.1 to 402.0) K. The temperatures and molar enthalpies and entropies of fusion of the four p-halogenated acetophenones were determined using differential scanning calorimetry. The standard molar enthalpies, entropies and Gibbs energies of sublimation and of vaporisation, at selected reference temperatures, were derived from the experimental results. The contributions of the acetyl group and of the constituent halogen atoms to these thermodynamic properties were also predicted through correlation equations.
Compounds
# Formula Name
1 C8H7FO 1-(4-fluorophenyl)ethanone
2 C8H7ClO 4'-chloroacetophenone
3 C8H7BrO 4'-bromoacetophenone
4 C8H7IO para-iodoacetophenone
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
  • Vapor or sublimation pressure, kPa ; Metastable liquid
  • Temperature, K; Metastable liquid
  • Metastable liquid
  • Gas
  • Closed cell (Static) method
  • 29
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Metastable liquid
  • Temperature, K; Metastable liquid
  • Metastable liquid
  • Gas
  • Closed cell (Static) method
  • 33
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Closed cell (Static) method
  • 13
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Metastable liquid
  • Temperature, K; Metastable liquid
  • Metastable liquid
  • Gas
  • Closed cell (Static) method
  • 38
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Closed cell (Static) method
  • 21
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Metastable liquid
  • Temperature, K; Metastable liquid
  • Metastable liquid
  • Gas
  • Closed cell (Static) method
  • 28