Vapor Pressure of 4-Ethylmorpholine Revisited: Thermodynamically Consistent Vapor Pressure Equation

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F19%3A43918097" target="_blank" >RIV/60461373:22340/19:43918097 - isvavai.cz</a>

Result on the web

<a href="https://pubs.acs.org/doi/10.1021/acs.jced.8b01159" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jced.8b01159</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jced.8b01159" target="_blank" >10.1021/acs.jced.8b01159</a>

Result language

angličtina

Original language name

Vapor Pressure of 4-Ethylmorpholine Revisited: Thermodynamically Consistent Vapor Pressure Equation

Original language description

A combined experimental and computational thermodynamic study of 4-ethylmorpholine was undertaken in this work to resolve large discrepancies between the two vapor pressure data sets reported in the literature. As no thermodynamic tests were capable of revealing which of the published data sets are in error, new vapor pressure measurements by the static method and determination of liquid-phase heat capacities by Tian-Calvet calorimetry were carried out in this work. Ideal-gas heat capacities, an indispensable input for testing the thermodynamic consistency of vapor pressures, were obtained by combining statistical thermodynamics and quantum chemical calculations. Although the vapor pressure determined in this work was found to be in reasonable agreement with one data set published previously (deviations within 10%), both literature data sets show significant inconsistencies with heat capacity data. Therefore, the recommended vapor pressure equation for 4-ethylmorpholine was developed solely based on the vapor pressure and heat capacity data obtained in this work, which were treated simultaneously to ensure a thermodynamically consistent description of vapor pressure in the temperature range 243-298 K with the estimated expanded (k = 2) uncertainty of 0.5%. © 2019 American Chemical Society.

Czech name

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Czech description

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Type

J_imp - 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/GA17-03875S" target="_blank" >GA17-03875S: Theoretical and experimental study of thermodynamic properties and phase behavior of molecular crystals</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2019

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Chemical Engineering Data

ISSN

0021-9568

e-ISSN

—

Volume of the periodical

64

Issue of the periodical within the volume

4

Country of publishing house

US - UNITED STATES

Number of pages

6

Pages from-to

1605-1610

UT code for WoS article

000464768500030

EID of the result in the Scopus database

2-s2.0-85064339696