Extracting Vapor Pressure Data from GLC Retention Times. Part 1: Analysis of Single Reference Approach

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F17%3A00482526" target="_blank" >RIV/61388963:_____/17:00482526 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60461373:22340/17:43914210 RIV/60461373:22320/17:43914210

Výsledek na webu

<a href="http://dx.doi.org/10.1021/acs.jced.7b00548" target="_blank" >http://dx.doi.org/10.1021/acs.jced.7b00548</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jced.7b00548" target="_blank" >10.1021/acs.jced.7b00548</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Extracting Vapor Pressure Data from GLC Retention Times. Part 1: Analysis of Single Reference Approach

Popis výsledku v původním jazyce

The vapor pressures of 52 compounds including n-alkanes and their monosubstituted derivatives, as well as chloroand alkylbenzenes were determined exploring the gas chromatographic relative retention time (GLC-RT) technique in its simplest form, that is, using a single reference standard and neglecting the activity coefficient effect (GLC-RT1S). The selection of compounds was limited to those which are in the liquid state under the measurement conditions and for which high-quality vapor pressures obtained by direct methods are available at temperatures of GLC measurements. This approach should eliminate possible secondary error sources (such as data extrapolation or recalculation from supercooled liquid to solid phase or vice versa). On the basis of a thorough comparison of the GLC-RT1S-based and directly measured vapor pressures for the group of (functionalired) n-alkanes and by exploiting n-alkanes as reference solutes it is clear that deviations from direct data are significant (in many tens of percent) when single reference compounds are used. However, when an n-alkane that has a retention time lower than the test compound but close to it is used as the reference, the relative errors do not exceed 20%. Overall, the method has been found to be rather reliable over a wide range of conditions for nonpolar and slightly polar substances. For polar compounds, such as alcohols or nitriles, the results do confirm the need to carefully select standards with the same functionality as the targets to be evaluated. In contrast to homologous series no regular pattern can be observed for functionalized benzenes even if the reference compounds were selected from the same group of substituted benzenes.

Název v anglickém jazyce

Extracting Vapor Pressure Data from GLC Retention Times. Part 1: Analysis of Single Reference Approach

Popis výsledku anglicky

The vapor pressures of 52 compounds including n-alkanes and their monosubstituted derivatives, as well as chloroand alkylbenzenes were determined exploring the gas chromatographic relative retention time (GLC-RT) technique in its simplest form, that is, using a single reference standard and neglecting the activity coefficient effect (GLC-RT1S). The selection of compounds was limited to those which are in the liquid state under the measurement conditions and for which high-quality vapor pressures obtained by direct methods are available at temperatures of GLC measurements. This approach should eliminate possible secondary error sources (such as data extrapolation or recalculation from supercooled liquid to solid phase or vice versa). On the basis of a thorough comparison of the GLC-RT1S-based and directly measured vapor pressures for the group of (functionalired) n-alkanes and by exploiting n-alkanes as reference solutes it is clear that deviations from direct data are significant (in many tens of percent) when single reference compounds are used. However, when an n-alkane that has a retention time lower than the test compound but close to it is used as the reference, the relative errors do not exceed 20%. Overall, the method has been found to be rather reliable over a wide range of conditions for nonpolar and slightly polar substances. For polar compounds, such as alcohols or nitriles, the results do confirm the need to carefully select standards with the same functionality as the targets to be evaluated. In contrast to homologous series no regular pattern can be observed for functionalized benzenes even if the reference compounds were selected from the same group of substituted benzenes.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA17-03875S" target="_blank" >GA17-03875S: Teoretická a experimentální studie termodynamických vlastností a fázového chování molekulárních krystalů</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Journal of Chemical and Engineering Data

ISSN

0021-9568

e-ISSN

—

Svazek periodika

62

Číslo periodika v rámci svazku

10

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

3542-3550

Kód UT WoS článku

000413131800056

EID výsledku v databázi Scopus

2-s2.0-85031323772