Equilibrium data for the cross-metathesis of fatty acid methyl esters with functionalized olefins: The case of methyl oleate with cinnamaldehyde

P.D. NIERES; A.F. TRASARTI; C.R. APESTEGUÍA

Data in Brief

Elsevier

Año: 2018

2352-3409

Cross metathesis of unsaturated fatty acid methyl esters (FAME) with functionalized olefins is a relevant route to obtain value-added fine chemicals. Although the reaction is frequently limited by equilibrium, very few thermodynamic data are available in literature. Data on the thermodynamic equilibrium are essential to optimize the reactor operating conditions and improving the yield to cross-metathesis products, because the FAME/olefins cross-metathesis is always concomitant with the FAME self-metathesis secondary reaction. Here we present equilibrium data for the cross-metathesis of methyl oleate (MO) with cinnamaldehyde (CA) obtained experimentally from liquid-phase catalytic tests conducted at 323 K. The reaction was carried out in batch reactors, using different reactant molar ratios and the 2nd generation Ru Hoveyda-Grubbs complex as catalyst. Reaction mixtures at the equilibrium were analyzed by gas chromatography. Equilibrium constants were determined by assuming unitary activity coefficients for a cinnamaldehyde/methyl oleate equimolar ratio, and the validity of that approximation was evaluated by calculating the equilibrium conversions for different reactant molar ratios.