Thermodynamic study of selected monoterpenes IV

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F20%3A43920661" target="_blank" >RIV/60461373:22340/20:43920661 - isvavai.cz</a>
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S0021961419308109" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0021961419308109</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jct.2019.106013" target="_blank" >10.1016/j.jct.2019.106013</a>

Result language
angličtina
Original language name
Thermodynamic study of selected monoterpenes IV
Original language description
An extensive thermodynamic study of three monoterpenes, (−)-menthone, (+)-pulegone, and (−)-isopulegol, is presented in this work. Phase behaviour was investigated by a heat-flux differential scanning calorimetry (DSC) from 183 K resulting in detection of polymorphic behaviour of (−)-isopulegol and a noticeably slow crystallization of (+)-pulegone. Two static apparatus were employed for the vapour pressure measurements over a wide temperature range including environmentally important ambient temperatures. Heat capacities of liquid phase were measured by Tian-Calvet calorimetry at temperatures between 266 K and 353 K. Conformational space of the compounds was examined using the density functional theory (DFT) calculations and the ideal-gas thermodynamic properties were subsequently calculated using statistical thermodynamics. A consistent thermodynamic description was developed using the method of simultaneous correlation, where the experimental data for phase behaviour, vapour pressures, and condensed phase heat capacities and calculated ideal-gas heat capacities are treated together. © 2019 Elsevier Ltd
Czech name
—
Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10403 - Physical chemistry

Project
<a href="/en/project/LTAUSA18011" target="_blank" >LTAUSA18011: Ab Initio Investigation of Polymorphism of Active Pharmaceutical Ingredients Supported by State of the Art NMR Crystallographic and Calorimetric Experiments.</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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