A mathematical technique for approximating the values of melting points of diacylglycerols

Abstract

AbstractA method of correlating the values of melting points of diacylglycerols (DAG) with the values of the melting points of the two fatty acids constituting the DAG as its acyl radicals was studied by making use of the least squares method. The method was applied to the set of values of melting points of the β crystal form of DAG with acyl radicals comprising decanoyl, lauroyl, myristoyl, palmitoyl, stearoyl, and oleoyl. The melting point of the β crystal form of DAG is approximated by the prediction equations in which the values of the melting points of the two fatty acids are contained as variables. Furthermore, the prediction equations indirectly contain a variable parameter that reflects the physical effect due to the free hydroxyl group in the molecule of DAG. The best‐fit equations can finally be fixed by varying the parameter while satisfying the criterion of least squares. The least squares method with concomitant variable parameter enables us to estimate the melting points of possible molecular species of DAG comprising the acyl radicals above, and will certainly be helpful for designing oleo materials including DAG for industrial use.