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Please use this identifier to cite or link to this item: https://elib.bsu.by/handle/123456789/261438
Title: Polymorphism and thermophysical properties of L- and DL-menthol
Authors: Stejfa, V.
Bazyleva, A.
Fulem, M.
Rohlicek, J.
Skorepova, E.
Ruzicka, K.
Blokhin, A.V.
Issue Date: 2019
Publisher: Academic Press
Citation: J Chem Thermodyn 2019;131:524-543.
Abstract: The thermodynamic properties, phase behaviour, and kinetics of polymorphic transformations of racemic (DL-) and enantiopure (L-) menthol were studied using a combination of advanced experimental techniques, including static vapour pressure measurements, adiabatic calorimetry, Tian-Calvet calorimetry, differential scanning calorimetry (DSC), and variable-temperature X-ray powder diffraction. Several concomitant polymorphs (α β γ and δ forms) were observed and studied. A continuous transformation to the stable α form was detected by DSC and monitored in detail using X-ray powder diffraction. A long-term coexistence of the stable crystalline form with the liquid phase was observed. The vapour pressure measurements of both compounds were performed using two static apparatus over a temperature range from 274 K to 363 K. Condensed-phase heat capacities were measured by adiabatic and Tian-Calvet calorimetry in the wide temperature interval from 5 K to 368 K. Experimental data of L- and DL-menthol are compared mutually as well as with available literature results. The thermodynamic functions of crystalline and liquid L-menthol between 0 K and 370 K were calculated from the calorimetric results. The thermodynamic properties in the ideal-gas state were obtained by combining statistical thermodynamics and quantum chemical calculations based on a thorough conformational analysis. Calculated ideal-gas heat capacities and experimental data on vapour pressure and condensed-phase heat capacity were treated simultaneously to obtain a consistent thermodynamic description. Based on the obtained results, the phase diagrams of L-menthol and DL-menthol were suggested.
URI: https://elib.bsu.by/handle/123456789/261438
Scopus: 10.1016/j.jct.2018.11.004
metadata.dc.identifier.scopus: 85058247041
Sponsorship: National Institute of Standards and Technology; Grantová Agentura České Republiky (GA ČR), CZ.2.16/3.1.00/24510,GACR No. 17-03875S
Appears in Collections:Статьи химического факультета

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