A combined thermodynamic and crystallographic study of 1,3-diisopropylnaphthalene

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F20%3A00533912" target="_blank" >RIV/68378271:_____/20:00533912 - isvavai.cz</a>
Alternative codes found
RIV/60461373:22340/20:43920663
Result on the web
<a href="https://doi.org/10.1016/j.jct.2020.106193" target="_blank" >https://doi.org/10.1016/j.jct.2020.106193</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jct.2020.106193" target="_blank" >10.1016/j.jct.2020.106193</a>

Result language
angličtina
Original language name
A combined thermodynamic and crystallographic study of 1,3-diisopropylnaphthalene
Original language description
The thermodynamic properties and phase behaviour of 1,3-diisopropylnaphthalene were studied for the first time using static vapour pressure measurements, Tian-Calvet calorimetry, and differential scanning calorimetry (DSC). Polymorphic behaviour of the compound was detected and studied in detail by combination of DSC and variable-temperature X-ray powder diffraction. The crystal structure of the disordered metastable phase was obtained using a single-crystal X-ray diffraction for the first time. The experimental study was supplemented by calculating thermodynamic properties in the ideal-gas state using a combination of statistical thermodynamics and quantum-chemical calculations. Recommended vapour pressure equation was derived by simultaneous treatment of vapour pressures, experimental heat capacities of the condensed phases, calculated ideal-gas heat capacities, and temperature and enthalpy of fusion, assuring their mutual thermodynamic consistency.n
Czech name
—
Czech description
—

Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

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
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

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

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