Estimation of enthalpies of sublimation of organic, organometallic and inorganic compounds

Abstract

Multiple linear regression equations using Abraham descriptors have been constructed for enthalpies of sublimation at 298.15 K. For a data set of 898 varied organic, organometallic and inorganic compounds the regression standard deviation is 9.9 kJ mol −1, somewhat better than previous analyses of general data sets, 11.4 and 14.7 kJ mol −1. We have also constructed equations on the same lines, using the data set of Gharagheizi on enthalpies of sublimation at the triple point temperature. The set of 963 compounds yielded an equation with a regression standard deviation of 6.6 kJ mol −1, about the same as previous analyses, 4.2–7.9 kJ mol −1. Predictions of further enthalpies of sublimation through our equations can be made using simple arithmetic – no computer programs are needed.