Application of a Mathematical Model by Means of Experimental Design to Alkylation of o-Cresol with Cyclohexene

Abstract

Alkylation of o-cresol with cyclohexene in the presence of perchloric acid as catalyst was studied statistically with a three-factored experimental design. Factorial design was employed to study the effects of single factors and the effects of their interactions on the yield of alkylation. Reaction temperature, molar ratio of o-cresol to cyclohexene and amount of perchloric acid were considered as the major variables. A mathematical model was derived to calculate the predicted yield of alkylation of o-cresol with cyclohexene in the presence of perchloric acid under certain reaction conditions and cyclohexyl o-cresol was obtained in high yield. The adequacy of the suggested model was checked up and the discrepancies between the experimental and calculated values did not exceed 1.52%. An optimum yield (89.5%) of the product was obtained under the reaction conditions of a temperature of 140º C; a 6:1 molar ratio of ocresol to cyclohexene and a 5% by weight perchloric acid of o-cresol.