Thermodynamics Research Center / ThermoML | Thermochimica Acta

Six-membered ring aliphatic compounds: A search for regularities in phase transitions

Nagrimanov, R. N.[Ruslan N.], Solomonov, B. N.[Boris N.], Emel'yanenko, V. N.[Vladimir N.], Verevkin, S. P.[Sergey P.]
Thermochim. Acta 2016, 638, 80-88
ABSTRACT
Absolute vapor pressures of 1-Cl-adamantane, 2-Cl-adamantane, 1-Br-adamantane, 2-Br-adamantane, aswell as of Br-cyclohexane were measured by using the transpiration method. Standard molar enthalpiesof sublimation of halogen substituted adamantanes at 298.15 K were derived from vapor pressure tem-perature dependences. Standard molar enthalpies of solution of adamantane and halogen adamantanesin cyclohexane were measured with a high-precision solution calorimeter. A theoretical procedure basedon the solution calorimetry was applied to derive sublimation enthalpies of halogen adamantanes inde-pendently. Molar enthalpies of fusion were measured with help of DSC. The consistent data set of phasetransitions for each compound was evaluated and used for discussion of structure-property relations inadamantane and cyclohexane derivatives. A simple way to predict enthalpies of vaporization of com-pounds containing six-membered rings was suggested for practical thermochemical calculations.
Compounds
# Formula Name
1 C10H16 adamantane
2 C10H15Cl 1-chlorotricyclo[3.3.1.1(3,7)]decane
3 C10H15Cl 2-chlorotricyclo[3.3.1.1(3,7)]decane
4 C10H15Br 1-bromotricyclo[3.3.1.1(3,7)]decane
5 C10H15Br 2-bromoadamantane
6 C6H12 cyclohexane
7 C6H11Br bromocyclohexane
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
  • 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
  • 20
  • 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
  • 16
  • POMD
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Crystal 2
  • Temperature, K; Crystal 2
  • Crystal 2
  • Gas
  • Transpiration method
  • 2
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Crystal 1
  • Temperature, K; Crystal 1
  • Crystal 1
  • Gas
  • Transpiration method
  • 8
  • POMD
  • 5
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 12
  • POMD
  • 7
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 12
  • POMD
  • 6
  • 1
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 6
  • 2
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 6
  • 3
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 6
  • 4
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 6
  • 5
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1