Thermodynamics Research Center / ThermoML | Thermochimica Acta

Determination of sublimation enthalpies of substituted benzophenones, fluorenes and diphenyl ethers by solution calorimetry approach

Nagrimanov, Ruslan N., Samatov, Aizat A., Buzyorov, Aleksey V., Solomonov, Boris N.
Thermochim. Acta 2017, 655, 358-362
ABSTRACT
An approach for the determination of solvation enthalpies of substituted aromatic compounds is developed. In this work the solvation enthalpy of a reference unit (benzophenone, fluorene and diphenyl ether) is calculated as the difference between solution enthalpy and sublimation enthalpy at 298 K. An additive approach for the determination of solvation enthalpies of substituted aromatic compounds was used. Solvation enthalpies of sixteen substituted benzophenones, fluorenes and diphenyl ethers were calculated by this approach. Thermochemical data of solution enthalpies of benzophenones, fluorenes and diphenyl ether were measured by a precision solution calorimeter at 298 K. Then sublimation enthalpies of the studied compounds were derived by a solution calorimetry (SC) approach at 298 K. We have also found that in a number of cases instead of the solution enthalpy in benzene at 298 K the fusion enthalpy at the melting temperature can be used. A comparison between literature data and the calculated vaporization and sublimation enthalpies demonstrates a satisfactory performance of the proposed approach.
Compounds
# Formula Name
1 C13H10O benzophenone
2 C14H12O 4-methylbenzophenone
3 C13H9NO3 4-nitrobenzophenone
4 C13H9ClO 4-chlorobenzophenone
5 C13H8Cl2O bis(4-chlorophenyl)methanone
6 C13H10 fluorene
7 C13H9NO2 2-nitro-9H-fluorene
8 C13H11N 2-aminofluorene
9 C13H9Br 2-bromofluorene
10 C13H8Br2 2,7-dibromofluorene
11 C12H10O diphenyl ether
12 C6H6 benzene
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
  • 12
  • 1
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 12
  • 2
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 12
  • 3
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 12
  • 4
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 12
  • 5
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 12
  • 6
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 12
  • 8
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 12
  • 9
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 9; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 12
  • 7
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 12
  • 10
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 10; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 12
  • 11
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 11; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1