Vapor Pressures and Thermophysical Properties of Dimethoxymethane, 1,2-Dimethoxyethane, 2‑Methoxyethanol, and 2‑Ethoxyethanol: Data Reconciliation and Perturbed-ChainnStatistical Associating Fluid Theory Modeling

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F21%3A00559331" target="_blank" >RIV/67985858:_____/21:00559331 - isvavai.cz</a>

Result on the web

<a href="https://hdl.handle.net/11104/0332660" target="_blank" >https://hdl.handle.net/11104/0332660</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jced.1c00229" target="_blank" >10.1021/acs.jced.1c00229</a>

Result language

angličtina

Original language name

Vapor Pressures and Thermophysical Properties of Dimethoxymethane, 1,2-Dimethoxyethane, 2‑Methoxyethanol, and 2‑Ethoxyethanol: Data Reconciliation and Perturbed-ChainnStatistical Associating Fluid Theory Modeling

Original language description

As a continuation of our effort to establish reliable thermodynamic data for important industrial solvents, dimethoxymethane (CAS RN: 109-87-5), 1,2-dimethoxyethane (CAS RN: 110-71-4), 2-methoxyethanol (CAS RN: 109-86-4), and 2-ethoxyethanol (CAS RN: 110-80-5) were studied. Vapor pressure was measured by ebulliometry for dimethoxymethane and by static method for 1,2-dimethoxyethane, 2-methoxyethanol, and 2-ethoxyethanol. Heat capacities in the liquid phase of all four compounds were measured by Tian-Calvet calorimetry in the temperature interval (262-358) K. In the case of dimethoxymethane and 1,2-dimethoxyethane, this interval was shortened because of their volatility. The thermodynamic properties in the ideal gaseous state were calculated using the methods of statistical thermodynamics based on calculated fundamental vibrational frequencies and molecular structure data. Calculated ideal-gas heat capacities and experimental data on vapor pressures, liquid phase heat capacities, and vaporization enthalpies were treated simultaneously to obtain a consistent thermodynamic description. Comparisons with literature values are shown for all measured and derived properties. Furthermore, the developed recommended data were used to identify new molecular parameters for the studied solvents within the PC-SAFT (perturbed-chain statistical associating fluid theory) equation of state and to compare their performance with those published in earlier papers, improved performance of the new parameters was achieved.

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

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OECD FORD branch

10403 - Physical chemistry

Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2021

Confidentiality

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

Name of the periodical

Journal of Chemical and Engineering Data

ISSN

0021-9568

e-ISSN

1520-5134

Volume of the periodical

66

Issue of the periodical within the volume

6

Country of publishing house

US - UNITED STATES

Number of pages

15

Pages from-to

2640-2654

UT code for WoS article

000662181900030

EID of the result in the Scopus database

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