Thermodynamics Research Center / ThermoML | Thermochimica Acta

Thermodynamics of sublimation and solvation for bicyclo-derivativesof 1,3-thiazine

Olkhovich, M. V.[Marina V.], Blokhina, S. V.[Svetlana V.], Sharapova, A. V.[Angelica V.], Perlovich, G. L.[German L.], Proshin, A. N.[Alexey N.]
Thermochim. Acta 2013, 569, 61-5
ABSTRACT
Temperature dependencies of saturated vapor pressure of novel bicyclo-derivatives of 1,3-thiazine withmethoxy- and carbonyl-substituents have been obtained by method of transference by means of aninert gas carrier. Thermodynamic functions of sublimation have been calculated. Correlations betweenthermodynamic functions of sublimation and thermophysical properties of the substances and moleculardescriptors have been established. The enthalpies of solvation of compounds were calculated using themeasured values of enthalpies of sublimation and of standard enthalpies of solution in hexane and buffer.
Compounds
# Formula Name
1 C16H20N2OS N-(1-thia-3-azaspiro[5.5]undec-2-en-2-yl)benzamide
2 C16H22N2OS N-(4-methoxyphenyl)-1-thia-3-azaspiro[5.5]undec-2-en-2-amine
3 C17H22N2OS 1-(4-(1-thia-3-azaspiro[5.5]undec-2-en-2-ylamino)phenyl)ethanone
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:corrimp
  • 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
  • 16
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:corrimp
  • 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 ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 13
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:corrimp
  • 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
  • Transpiration method
  • 17