Properties of Mesityl Oxide

Heat of combustion Heat of vaporization Melting point 

Miscible without turbidity with 19 vols. af 60 Be gasoline at 20 C. 

Isophorone is a stable, colorless, volatile liquid with a mild odor. It is only slightly soluble in water, but miscible with most lacquer solvents. It is an excellent solvent for many types of cellulose esters, cellulose ethers, oils, fats, gums and resins, both natural and synthetic. It is the most powerful solvent for nitrocellulose and Vinylite resins. Isophorone has one of the highest oromatic hydrocarbon dilution ratios for nitrocellulose—5.7 for toluene ond 5.1 for xylene, it will dissolve 30% of Vinyllte resin without gelling. At ordinary temperatures solutions can be made of second RS nitrocellulose containing 45% solids. Isophorone is used in the manufacture of coatings, inks, stencil pastes and as a thinner in synthetic resin finishes. 

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The analysis of the properties of mesityl oxide in aqueous solution was based on the continuous and discrete models of the solvent. Here, we used the polarizable continuum model (PCM) [32, 33], and for the discrete model of the solvent, we performed the sequential use of quantum mechanics and molecular mechanics methods, S-QM/MM [20, 21]. In the S-QM/MM procedure, initially the liquid-phase configurations are sampled from molecular simulations, and after statistical analysis, only configurations with less than 10 % of statistical correlation are selected and submitted to quantum mechanical calculations. In our study, we used the Monte Carlo method (MC) with... 

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