Application of two methods of calculation of solvation descriptor L to estimate C-5-C-7 alkenes retention

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F15%3A10319450" target="_blank" >RIV/00216208:11310/15:10319450 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1002/jssc.201500111" target="_blank" >http://dx.doi.org/10.1002/jssc.201500111</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/jssc.201500111" target="_blank" >10.1002/jssc.201500111</a>

Result language

angličtina

Original language name

Application of two methods of calculation of solvation descriptor L to estimate C-5-C-7 alkenes retention

Original language description

The solvation descriptor L for 59 isomers of all C-5-C-7 alkenes was calculated using two methods based on additive contributions of particular fragments in the molecule by the method of Havelec and Sevcik and the method of Platts and Butina. These descriptors were used to estimate the gas chromatography retention of alkenes on squalane and polydimethylsiloxane stationary phases. The retention was described better by the Platts-Butina method. Modification of the Havelec-Sevcik method by omitting the contribution for interaction of the cis isomers led to a substantial improvement in the estimation ability of the model. The modified Havelec-Sevcik method was found to be preferable for estimation of the descriptor L compared to the Platts-Butina method. Amore comprehensive description of the retention of alkenes was achieved by inclusion of an additional descriptor E. This model with the descriptors L and E yielded better estimation for alkenes compared to the model with a single descrip

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CB - Analytical chemistry, separation

OECD FORD branch

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Project

—

Continuities

S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2015

Confidentiality

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

Name of the periodical

Journal of Separation Science

ISSN

1615-9306

e-ISSN

—

Volume of the periodical

38

Issue of the periodical within the volume

14

Country of publishing house

DE - GERMANY

Number of pages

8

Pages from-to

2447-2454

UT code for WoS article

000358001000010

EID of the result in the Scopus database

2-s2.0-84948567592