Abstract: A method for predicting an intrinsic property of a mixture comprising at least two components by: (a) selecting components and an equation; wherein the equation relates amounts of the components to the intrinsic property of the mixture; (b) selecting experimental compositions, each of which comprises at least one of the components; (c) measuring a correlational property of each of the experimental compositions by a correlational technique; and (d) determining a set of coefficients for the equation; wherein in the equation, each of the coefficients is multiplied by a concentration of a component or a product of concentrations of two or more components.

Abstract: Catalyst compositions are disclosed which are useful for the hydroxylation and the ammination of aromatic hydrocarbons using molecular oxygen as terminal oxidant. The catalysts comprise a support selected from the group consisting of metal oxides, molecular sieves, zeolites and clays; transition metal selected from the group consisting of vanadium, niobium, copper, palladium, nickel and silver, and combinations thereof; and at least one multidentate chelating, binucleating ligand. The catalysts may further comprise additional metal ions. The process is particularly suited, for example, to the one-step conversion of benzene to phenol and of benzene to aniline.