PREDICTION OF PROPERTIES OF SILICON, BORON, AND ALUMINUM COMPOUNDS

Because of the lack of experimental results, organometallic compounds often have not been included in studies of data prediction methods. On the basis on an extensive search and compilation of experimental data , many of the thermodynamic and transport property prediction methods have now been extended to include silicon, boron, and aluminum compoun ds. Almost all the methods are based on chemical structure, involving atomic, bond, or group contributions. A strong emphasis has been place d on developing prediction methods of this type because a minimum numb er of experimental input data are required to apply them. This was an important criterion because of the scarcity of experimental results in the literature on organometallic compounds. Organometallic predictive methods have been developed for the following properties (reliability estimates are given in parentheses): ideal gas enthalpies of formatio n (2.3%), enthalpy of vaporization (4.8%), ideal gas heat capacity (4. 0%), ideal gas entropy (1.3%), critical temperature (1.9%), critical p ressure (4.7%), critical volume (6.2%), thermal conductivity (6.7%), a nd surface tension (6.2%).