Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermochemical study of four isomers of dichloroanisole

Ribeiro da Silva, M. A. V.[Manuel A. V.], Lobo Ferreira, A. I. M. C.[Ana I.M.C.]
J. Chem. Thermodyn. 2008, 40, 6, 924-930
ABSTRACT
The present work reports the values of the gaseous standard (p = 0.1 MPa) molar enthalpies of formation of four isomers of dichloroanisole: 2,3-, 2,4-, 2,6-, and 3,5-dichloroanisole, at T = 298.15 K. For all compounds, those values were derived from measurements of the standard molar energies of combustion in the condensed phase, using a rotating bomb combustion calorimeter, together with measurements of the standard molar enthalpies of sublimation or vaporization, measured by high temperature Calvet microcalorimetry. Moreover, the enthalpies and the temperatures of fusion for the crystalline isomers of dichloroanisoles were measured by differential scanning calorimetry. ) 2,3-Dichloroanisole (cr) 3456.8 +- 1.5 201.3 +- 1.8 83.6 +- 1.5 2,4-Dichloroanisole (l) 3473.7 +- 1.4 184.4 +- 1.7 62.8 +- 0.7 2,6-Dichloroanisole (l) 3492.7 +- 1.5 165.4 +- 1.8 56.1 +- 0.7 3,5-Dichloroanisole (cr) 3453.2 +- 1.5 204.9 +- 1.8 79.0 +- 1.5 Full-size table The derived standard molar enthalpies of formation in the gaseous phase, at T = 298.15 K, for the title compounds were compared with the same parameters estimated by the Cox scheme and interpreted in terms of molecular structure.
Compounds
# Formula Name
1 ClH hydrogen chloride
2 CO2 carbon dioxide
3 H2O water
4 O2 oxygen
5 C7H6Cl2O 1,2-dichloro-3-methoxybenzene
6 C7H6Cl2O 2,4-dichloro-1-methoxybenzene
7 C7H6Cl2O 2,6-dichloroanisole
8 C7H6Cl2O 3,5-dichloroanisole
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
  • 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
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calvet microcalorimetry
  • 1
  • POMD
  • 5
  • Molar enthalpy, kJ/mol ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Gas
  • Calvet drop calorimetry
  • 1
  • POMD
  • 6
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Calvet microcalorimetry
  • 1
  • POMD
  • 6
  • Molar enthalpy, kJ/mol ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Gas
  • Calvet drop calorimetry
  • 1
  • POMD
  • 7
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Calvet microcalorimetry
  • 1
  • POMD
  • 7
  • Molar enthalpy, kJ/mol ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Gas
  • Calvet drop calorimetry
  • 1
  • POMD
  • 8
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 8
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 8
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calvet microcalorimetry
  • 1
  • POMD
  • 8
  • Molar enthalpy, kJ/mol ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Gas
  • Calvet drop calorimetry
  • 1
  • RXND
  • 5
  • 1
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 6
  • 1
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 7
  • 1
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 1
  • 8
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1