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

Thermodynamic Study of the Three Fluorobenzamides: Vapor Pressures, Phase Diagrams, and Hydrogen Bonds

Almeida, A. R. R. P.[Ana R.R.P.], Monte, M. J. S.[Manuel J. S.]
J. Chem. Eng. Data 2010, 55, 11, 5230-5236
ABSTRACT
A static method was used to measure the vapor pressures of crystalline and liquid phases of ortho-, meta-, and para-fluorobenzamides, in the temperature ranges (318.0 to 412.2) K, (336.8 to 432.0) K, and (344.8 to 437.8) K, respectively. The vapor pressures of the crystalline phase of the ortho- and meta-isomers were also measured using the Knudsen effusion method in the pressure ranges (0.1 to 1) Pa. From the experimental results, the standard molar Gibbs energies and enthalpies of sublimation and of vaporization, at T = 298.15 K, and the triple-point results (p, T) for the three compounds were derived. The temperatures and molar enthalpies of fusion were also determined using differential scanning calorimetry and were compared with the values derived from the vapor pressure measurements. The enthalpy of the intermolecular hydrogen bonds N-H***O in the studied compounds will be discussed and compared with the values derived for benzamide.
Compounds
# Formula Name
1 C7H6FNO o-fluorobenzamide
2 C7H6FNO 3-fluorobenzamide
3 C7H6FNO 4-fluorobenzamide
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
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 12
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Closed cell (Static) method
  • 21
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 17
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 11
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Closed cell (Static) method
  • 18
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 11
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Closed cell (Static) method
  • 27
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 15