Thermodynamics Research Center / ThermoML | Thermochimica Acta

Physico-chemical study of bioactive N-(5-ethyl-1,3,4-thiadiazole-2-yl)-4-nitrobenzamide: Sublimation, solubility and distribution

Ol'khovich, Marina, Sharapova, Angelica, Skachilova, Sofia Ya., Perlovich, German
Thermochim. Acta 2017, 657, 72-78
ABSTRACT
Novel experimental data for physicochemical properties of the bioactive compound N-(5-ethyl-1,3,4-thiadiazole- 2-yl)-4-nitrobenzamide have been obtained. The saturated vapor pressure of the studied compound has been measured within the temperature range of 431.15 457.15 K by the inert gas transpiration method. The shake flask method has been used to determine the solubility in buffer pH 7.4, n-hexane, ethanol, 1-octanol and distribution coefficients in the 1-octanol/buffer system at different temperatures. The van't Hoff and modified Apelblat models have been used to correlate the experimental solubility. The thermodynamic functions of sublimation and transfer have been investigated and discussed.
Compounds
# Formula Name
1 C11H10N4O3S N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
2 C2H6O ethanol
3 C8H18O octan-1-ol
4 C6H14 hexane
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 ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 14
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV spectrophotometry
  • 7
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Vibrating tube method
  • 7
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • spectrophotometry
  • 7
  • POMD
  • 1
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Vibrating tube method
  • 7
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • spectrophotometry
  • 7
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Vibrating tube method
  • 7