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Chemists predict vaporization heat, vapor pressure and boiling point of alkyl phenones

February 28th, 2023

A paper was published in Journal of Molecular Liquids.

The authors determined such parameters for long-chain alkyl phenones used in perfume production, food industry, and medicine.

Senior Research Associate of the Laboratory of Physicochemical Basis of Production of Thin Films Based on Organic Materials Mikhail Yagofarov comments, "The link between molecular structure and thermodynamic parameters of evaporation is a classic problem of chemical thermodynamics. Why does one compound boil under 50 degrees, and another under 400 degrees? The problem has not yet been solved."

The Department of Physical Chemistry is one of the world's leading teams in the thermodynamics of phase transitions of organic compounds.

"We meet evaporation everywhere. Water evaporates from a mug of tea. The refrigerant changes from liquid to gas phase in the evaporator of the refrigerator, taking heat from the refrigerator compartment, and then condenses, transferring this heat to the outside. Oil is separated into fractions in distillation columns. Toxic chemicals adsorbed on the smoke particles in the form of crystals evaporate and are distributed in the atmosphere. The course of all these processes is determined by the thermodynamic parameters of evaporation—the heat and pressure of saturated vapors," continues Yagofarov.

Through knowing those parameters one can predict such phenomena as a concentration of detrimental waste at a given distance from a factory, a distillation temperature for a certain compound, etc.

In this paper, the team described thermodynamic parameters of vaporization of C1-C20 alkyl phenones. The results are helpful in optimizing compound purification and evaluating environmental risks.

The research receives Priority 2030 funding.

More information:
Vaporization thermodynamics of normal alkyl phenones
www.sciencedirect.com/science/ … ii/S0167732222025399

Provided by Kazan Federal University

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