Hiessl, Robert; Hennecke, Leon; Plass, Carmen; Kleber, Joscha; Wahlefeld, Stefan; Otter, Rainer; Groeger, Harald; Liese, Andreas published the artcile< FTIR based kinetic characterisation of an acid-catalysed esterification of 3-methylphthalic anhydride and 2-ethylhexanol>, Recommanded Product: 2-Ethylhexan-1-ol, the main research area is methylphthalic anhydride ethylhexanol esterification kinetics FTIR spectra.
In this study, an inline anal. method was designed and applied in process characterization and development. The model reaction is the two-step diesterification of 3-methylphthalic anhydride with 2-ethylhexanol consisting of alcoholysis as the first step, followed by an acid-catalyzed, second esterification step leading to the corresponding diester. The final product is a potential, alternative plasticiser. For the inline measurements, attenuated total reflection Fourier transformed IR spectroscopy (ATR-FTIR) was implemented. In order to evaluate the spectra recorded during the reaction, a chemometric model was established. In this work, Indirect Hard Modeling (IHM), a non-linear modeling approach was employed. The resp. model was calibrated by using offline samples analyzed with gas (GC) and liquid chromatog. (HPLC). After successful validation of the chemometric model, the inline measurements were utilized for reaction characterization. The acid-catalyzed, second esterification step was identified as the limiting reaction step. From batch reactions conducted at different temperatures, the energy of activation of this step was determined to be 79.5 kJ mol-1. Addnl., kinetics were shown to follow a pseudo-first order with respect to the monoester formation and a kinetic model was established. The model was validated in simulations with changed reaction conditions.
Analytical Methods published new progress about Activation energy. 104-76-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H18O, Recommanded Product: 2-Ethylhexan-1-ol.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts