Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic properties of 1-bromoadamantane in the condensed state and molecular disorder in its crystals

Bazyleva, A. B.[Ala B.], Blokhin, A. V.[Andrey V.], Kabo, G. J.[Gennady J.], Kabo, A. G.[Andrey G.], Paulechka, Y. U.[Yauheni U.]
J. Chem. Thermodyn. 2005, 37, 7, 643-657
ABSTRACT
The heat capacities of 1-bromoadamantane in the condensed state were measured in calorimeters of two types: an adiabatic vacuum calorimeter was used in the temperature range from (6 to 320) K and a differential scanning calorimeter of the heat bridge type - between T = (290 and 430) K. Three solid-to-solid phase transitions and fusion were found to occur in the mentioned temperature range. The thermodynamic parameters of the solid-to-solid phase transitions were determined by the adiabatic calorimetry and of the crII -> crI transition and fusion - in the scanning calorimeter. The molar thermodynamic functions of 1-bromoadamantane in the crystalline and liquid states were obtained. The two-stage development of the orientational disorder in the crystalline phases up to the formation of the plastic crystals was established for the compound under study. Thermal behaviour of adamantane and 1-haloadamantanes and parameters of orientational disorder in their isotropic plastic crystals were discussed.
Compounds
# Formula Name
1 C10H15Br 1-bromotricyclo[3.3.1.1(3,7)]decane
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 4
  • Crystal 4
  • Crystal 3
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 3
  • Crystal 3
  • Crystal 2
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • DSC
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1
  • Crystal 1
  • Liquid
  • Gas
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Gas
  • DTA:corrimp
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 3
  • Crystal 3
  • Crystal 2
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • DTA
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 4
  • Crystal 4
  • Crystal 3
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 4
  • Temperature, K; Crystal 4
  • Pressure, kPa; Crystal 4
  • Crystal 4
  • Vacuum adiabatic calorimetry
  • 7
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 3
  • Temperature, K; Crystal 3
  • Pressure, kPa; Crystal 3
  • Crystal 3
  • Vacuum adiabatic calorimetry
  • 30
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Vacuum adiabatic calorimetry
  • 5
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Vacuum adiabatic calorimetry
  • 3
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Large sample (1 g) DSC
  • 8
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Large sample (1 g) DSC
  • 5
  • POMD
  • 1
  • Molar heat capacity at saturation pressure, J/K/mol ; Crystal 4
  • Temperature, K; Crystal 4
  • Crystal 4
  • Gas
  • Vacuum adiabatic calorimetry
  • 48
  • POMD
  • 1
  • Molar heat capacity at saturation pressure, J/K/mol ; Crystal 3
  • Temperature, K; Crystal 3
  • Crystal 3
  • Gas
  • Vacuum adiabatic calorimetry
  • 115
  • POMD
  • 1
  • Molar heat capacity at saturation pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Crystal 2
  • Gas
  • Vacuum adiabatic calorimetry
  • 21
  • POMD
  • 1
  • Molar heat capacity at saturation pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Crystal 1
  • Gas
  • Vacuum adiabatic calorimetry
  • 5
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 4
  • Temperature, K; Crystal 4
  • Pressure, kPa; Crystal 4
  • Crystal 4
  • Vacuum adiabatic calorimetry
  • 7
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 3
  • Temperature, K; Crystal 3
  • Pressure, kPa; Crystal 3
  • Crystal 3
  • Vacuum adiabatic calorimetry
  • 30
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Vacuum adiabatic calorimetry
  • 5
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Vacuum adiabatic calorimetry
  • 3
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Large sample (1 g) DSC
  • 8
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Large sample (1 g) DSC
  • 5
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 4
  • Temperature, K; Crystal 4
  • Pressure, kPa; Crystal 4
  • Crystal 4
  • Vacuum adiabatic calorimetry
  • 7
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 3
  • Temperature, K; Crystal 3
  • Pressure, kPa; Crystal 3
  • Crystal 3
  • Vacuum adiabatic calorimetry
  • 30
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Vacuum adiabatic calorimetry
  • 5
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Vacuum adiabatic calorimetry
  • 3
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Large sample (1 g) DSC
  • 8
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Large sample (1 g) DSC
  • 5