2 0 2009 rib fer 2 journal Original Ribeiro da Silva, M. A. V.[Manuel A. V.] Ferreira, A. I. M. C. L.[Ana I.M.C. Lobo] J. Chem. Thermodyn. 2009 2009-04-07 Experimental and computational study on the molecular energetics of monobromoanisole isomers Thermochemistry Energy of combustion Enthalpy of vaporization Enthalpy of formation Rotating bomb combustion calorimetry Calvet microcalorimetry Cox scheme Computational thermochemistry Bromoanisole isomers 10.1016/j.jct.2008.11.008 41 499-505 1 o-bromoanisole C7H7BrO 1 Commercial source 1 97 2 Stated by supplier 2 Fractional distillation 2 m-bromoanisole C7H7BrO 1 Commercial source 1 98 2 Stated by supplier 2 Fractional distillation 3 p-bromoanisole C7H7BrO 1 Commercial source 1 99 2 Stated by supplier 2 Fractional distillation 4 4-bromobenzoic acid C7H5BrO2 1 Commercial source 1 None used 1 95 2 Estimated by the compiler 5 hydrogen bromide BrH 6 carbon dioxide CO2 7 water H2O 8 oxygen O2 1 1 Principal objective of the work WZ TRC 2/10/2009 1 Molar enthalpy of vaporization or sublimation, kJ/mol Calvet microcalorimetry Liquid Direct value, X 1 Author Liquid Gas 1 Temperature, K 1 298.15 5 1 61.8 3 1 1.3 1 1 Principal objective of the work WZ TRC 2/10/2009 1 Molar enthalpy, kJ/mol Calvet microcalorimetry Gas Difference with the reference state, X-X(REF) Reference phase with the same composition at fixed temperature and pressure 298.15 5 101 3 Liquid 1 Author Gas 1 Temperature, K 2 Pressure, kPa 1 329 4 2 101 3 1 66.2 3 1 .2 2 1 Principal objective of the work WZ TRC 2/10/2009 1 Molar enthalpy of vaporization or sublimation, kJ/mol Calvet microcalorimetry Liquid Direct value, X 1 Author Liquid Gas 1 Temperature, K 1 298.15 5 1 58 3 1 1.2 2 1 Principal objective of the work WZ TRC 2/10/2009 1 Molar enthalpy, kJ/mol Calvet microcalorimetry Gas Difference with the reference state, X-X(REF) Reference phase with the same composition at fixed temperature and pressure 298.15 5 101 3 Liquid 1 Author Gas 1 Temperature, K 2 Pressure, kPa 1 328.9 4 2 101 3 1 62.4 3 1 .2 3 1 Principal objective of the work WZ TRC 2/10/2009 1 Molar enthalpy of vaporization or sublimation, kJ/mol Calvet microcalorimetry Liquid Direct value, X 1 Author Liquid Gas 1 Temperature, K 1 298.15 5 1 58.3 3 1 1.2 3 1 Principal objective of the work WZ TRC 2/10/2009 1 Molar enthalpy, kJ/mol Calvet microcalorimetry Gas Difference with the reference state, X-X(REF) Reference phase with the same composition at fixed temperature and pressure 298.15 5 101 3 Liquid 1 Author Gas 1 Temperature, K 2 Pressure, kPa 1 329 4 2 101 3 1 62.8 3 1 .1 1 1 -1 Crystal 5 0 1 Solution 1 Amount ratio of solvent to participant 600 6 0 7 Ideal gas 7 0 3 Liquid 8 -8 Ideal gas Principal objective of the work WZ TRC 2/10/2009 Combustion with oxygen 1 Specific internal energy of reaction at constant volume, J/g Rotating bomb calorimetry 7 Solution 1 298.15 5 100 3 1 Author Calibrated by the experimentalist 1 -19402.7 6 1 1.7 -2.19088860523344 2 1 -1 Crystal 5 0 1 Solution 1 Amount ratio of solvent to participant 600 6 0 7 Ideal gas 7 0 3 Liquid 8 -8 Ideal gas Principal objective of the work WZ TRC 2/10/2009 Combustion with oxygen 1 Specific internal energy of reaction at constant volume, J/g Rotating bomb calorimetry 7 Solution 1 298.15 5 100 3 1 Author Calibrated by the experimentalist 1 -19375.9 6 1 1.7 -2.18786243801856 3 1 -1 Crystal 5 0 1 Solution 1 Amount ratio of solvent to participant 600 6 0 7 Ideal gas 7 0 3 Liquid 8 -8 Ideal gas Principal objective of the work WZ TRC 2/10/2009 Combustion with oxygen 1 Specific internal energy of reaction at constant volume, J/g Rotating bomb calorimetry 7 Solution 1 298.15 5 100 3 1 Author Calibrated by the experimentalist 1 -19375.1 6 1 2.3 -2.18777210466886 4 1 -1 Crystal 5 0 1 Solution 1 Amount ratio of solvent to participant 600 6 0 7 Ideal gas 7 0 2 Liquid 8 -7 Ideal gas Principal objective of the work WZ TRC 2/10/2009 Combustion with oxygen 1 Specific internal energy of reaction at constant volume, J/g Rotating bomb calorimetry 7 Solution 1 298.15 5 100 3 1 Author Calibrated by the experimentalist 1 -15260.9 6 1 2.2 -1.72321027050911