Thermodynamics Research Center / ThermoML | Thermochimica Acta

Thermodynamic and structural aspects of hydroxybenzamide molecular crystals study

Manin, A. N.[Alex N.], Voronin, A. P.[Alexandr P.], Perlovich, G. L.[German L.]
Thermochim. Acta 2013, 551, 57-61
ABSTRACT
Temperature dependencies of vapor pressure were obtained by flow inert gas-carrier transfer method for 2-, 3- and 4- hydroxybenzamide in the temperature interval (from 302.15 to 345.15) E, (from 367.65 to 396.15) E and (from 360.15 to 420.65) E, respectively. The thermodynamic functions of sublimation process were estimated on the basis of the experimental results. The fusion processes of the compounds under investigation were studied using the differential scanning calorimetry method. The comparative analysis of parameters describing packing density of molecules in crystal lattices was done and thermodynamic and thermophysical parameters of sublimation and fusion processes were analyzed. The influence of crystal density calculated based on the X-ray data on sublimation enthalpy under standard conditions was found. For some benzamide derivatives the sublimation enthalpy was observed to depend on the melting point temperature.
Compounds
# Formula Name
1 C7H7NO2 2-hydroxybenzamide
2 C7H7NO2 3-hydroxy-benzamide
3 C7H7NO2 4-hydroxybenzamide
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
  • Transpiration method
  • 16
  • 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
  • Transpiration method
  • 19
  • 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
  • Transpiration method
  • 22