Thermochemistry of substituted benzenes: acetophenones with methyl, ethyl, cyano and acetoxy substituents

Abstract The enthalpies of vaporization/sublimation 2-, 3- and 4-methyl-acetophenones 3-, 4-cyano-acetophenones were derived from the vapor pressure temperature dependence measured with help gas saturation method. Enthalpies fusion 4-methyl-acetophenone 4-cyano-acetophenone by using DSC. literature thermochemical data for methyl-, ethyl, cyano- acetoxy-substituted acetophenones new results evaluated structure–property correlations. G* quantum chemical methods validated reliable estimation formation substituted in gaseous state. thermodynamic used to design “centerpiece” method assessment vaporization benzenes. Graphical abstract