Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Experimental and Computational Study of the Thermodynamic Properties of 9-Fluorenone and 9-Fluorenol

Monte, M. J. S.[Manuel J. S.], Notario, R.[Rafael], Calvinho, M. M. G.[Maria Miguel G.], Almeida, A. R. R. P.[Ana R.R.P.], Amaral, L. M. P. F.[Luisa M. P. F.], Ferreira, A. I. M. C. L.[Ana I. M. C. L.], Ribeiro da Silva, M. D. M. C.[Maria D. M. C.]
J. Chem. Eng. Data 2012, 57, 9, 2486-2496
ABSTRACT
This report presents a study of the thermodynamic properties of 9-fluorenone and 9-fluorenol. The standard enthalpies of formation of 9-fluorenone and 9-fluorenol in the crystalline phase at T = 298.15 K were determined from the energies of combustion in oxygen as -(11.4 +- 3.8) kJ*mol 1 and -(66.3 +- 2.9) kJ*mol 1, respectively. Vapor pressures of the two compounds were measured at several temperatures using two different experimental methods (Knudsen effusion for crystalline-phase vapor pressures and a static method for crystalline- and liquid-phase vapor pressures), which yielded reliable values of the enthalpies of sublimation, vaporization, and fusion. The sublimation and fusion enthalpies were also determined using calorimetric methods. The enthalpies of sublimation at T = 298.15 K were derived from the static vapor pressure measurements as (95.1 +- 0.5) kJ*mol 1 for 9-fluorenone and (108.3 +- 0.5) kJ*mol 1 for 9-fluorenol. The results enabled the determination of the standard Gibbs energy of the aerobic reactions of oxidation of fluorene to 9-fluorenol and 9-fluorenone and of the oxidation of 9-fluorenol to 9-fluorenone. Values of the standard enthalpies of formation in the gas phase were also calculated.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 H2O water
3 O2 oxygen
4 C13H8O 9(9H)-fluorenone
5 C13H10O 9H-fluoren-9-ol
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
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 12
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Closed cell (Static) method
  • 18
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 58
  • 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
  • Calculated from knudsen effusion weight loss
  • 12
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Closed cell (Static) method
  • 39
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 20
  • RXND
  • 4
  • 1
  • 2
  • 3
  • Specific internal energy of reaction at constant volume, J/g
  • Static bomb calorimetry
  • 1
  • RXND
  • 5
  • 1
  • 2
  • 3
  • Specific internal energy of reaction at constant volume, J/g
  • Static bomb calorimetry
  • 1