Institution: | a Supercritical Fluid Research Center, National Institute of Advanced Industrial Science and Technology, 4-02-1 Nigatake, Miyagino, Sendai 983-8551, Japan b Institute of Multidisciplinary Research forAdvanced Materials, Tohoko University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan c Department of Chemical Engineering, Tohoku University, 07 Aoba, Aramaki-Aza, Aoba-ku, Sendai 980-8579, Japan |
Abstract: | The decomposition of 2-propylphenol (PP) at 673 K and a water density of 0–0.5 g cm−3 yielded 2-isopropylphenol (IPP), phenol and 2-cresol. Gas products were methane, carbon dioxide, ethylene and propene. The decomposition was found to occur through rearrangement and alkylation, that is, (1) rearrangement of the propyl functional group from PP to IPP, (2) dealkylation of PP to phenol, (3) dealkylation of PP to 2-cresol. The decomposition probably occurred by a free-radical mechanism. The reaction rate constants of each pathway were determined and it was found that these were invariant over all the water densities studied at the given temperature. |