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Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations
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| Zeitschriftentitel: | Progress in Reaction Kinetics and Mechanism |
|---|---|
| Personen und Körperschaften: | , , , |
| In: | Progress in Reaction Kinetics and Mechanism, 45, 2020, S. 146867831989184 |
| Format: | E-Article |
| Sprache: | Englisch |
| veröffentlicht: |
SAGE Publications
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| Schlagwörter: |
| author_facet |
Vojtko, Ján Durdiak, Jaroslav Lukáčová-Chomisteková, Zuzana Tomčík, Peter Vojtko, Ján Durdiak, Jaroslav Lukáčová-Chomisteková, Zuzana Tomčík, Peter |
|---|---|
| author |
Vojtko, Ján Durdiak, Jaroslav Lukáčová-Chomisteková, Zuzana Tomčík, Peter |
| spellingShingle |
Vojtko, Ján Durdiak, Jaroslav Lukáčová-Chomisteková, Zuzana Tomčík, Peter Progress in Reaction Kinetics and Mechanism Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations Physical and Theoretical Chemistry |
| author_sort |
vojtko, ján |
| spelling |
Vojtko, Ján Durdiak, Jaroslav Lukáčová-Chomisteková, Zuzana Tomčík, Peter 1468-6783 1471-406X SAGE Publications Physical and Theoretical Chemistry http://dx.doi.org/10.1177/1468678319825731 <jats:p> Equilibrium constants and reaction rate constants for the esterification of secondary alkan-2-ols with acetic acid were measured at 60°C in 1,4-dioxane. Taft coefficients, as single parameter (without inductive effects), and two-parameter correlation (including inductive and steric effects), of the measurements were used for the prediction of esterification rate constants for secondary alkan-2-ols with monocarboxylic acids. For this prediction, previously observed results of linear correlation of rate constants for the esterification of propan-1-ol with monocarboxylic acids measured under identical experimental conditions were applied. Two parameter Taft equations for the correlation of secondary alkan-2-ols and for monocarboxylic acids were combined, resulting in an overall correlation equation usable for the prediction of reaction rates for secondary alkan-2-ols with any monocarboxylic acid. This equation was experimentally verified for the esterification of three randomly chosen alkan-2-ols with three randomly chosen monocarboxylic acids. </jats:p> Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations Progress in Reaction Kinetics and Mechanism |
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| title |
Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations |
| title_unstemmed |
Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations |
| title_full |
Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations |
| title_fullStr |
Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations |
| title_full_unstemmed |
Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations |
| title_short |
Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations |
| title_sort |
prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter taft equations |
| topic |
Physical and Theoretical Chemistry |
| url |
http://dx.doi.org/10.1177/1468678319825731 |
| publishDate |
2020 |
| physical |
146867831989184 |
| description |
<jats:p> Equilibrium constants and reaction rate constants for the esterification of secondary alkan-2-ols with acetic acid were measured at 60°C in 1,4-dioxane. Taft coefficients, as single parameter (without inductive effects), and two-parameter correlation (including inductive and steric effects), of the measurements were used for the prediction of esterification rate constants for secondary alkan-2-ols with monocarboxylic acids. For this prediction, previously observed results of linear correlation of rate constants for the esterification of propan-1-ol with monocarboxylic acids measured under identical experimental conditions were applied. Two parameter Taft equations for the correlation of secondary alkan-2-ols and for monocarboxylic acids were combined, resulting in an overall correlation equation usable for the prediction of reaction rates for secondary alkan-2-ols with any monocarboxylic acid. This equation was experimentally verified for the esterification of three randomly chosen alkan-2-ols with three randomly chosen monocarboxylic acids. </jats:p> |
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| author | Vojtko, Ján, Durdiak, Jaroslav, Lukáčová-Chomisteková, Zuzana, Tomčík, Peter |
| author_facet | Vojtko, Ján, Durdiak, Jaroslav, Lukáčová-Chomisteková, Zuzana, Tomčík, Peter, Vojtko, Ján, Durdiak, Jaroslav, Lukáčová-Chomisteková, Zuzana, Tomčík, Peter |
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| description | <jats:p> Equilibrium constants and reaction rate constants for the esterification of secondary alkan-2-ols with acetic acid were measured at 60°C in 1,4-dioxane. Taft coefficients, as single parameter (without inductive effects), and two-parameter correlation (including inductive and steric effects), of the measurements were used for the prediction of esterification rate constants for secondary alkan-2-ols with monocarboxylic acids. For this prediction, previously observed results of linear correlation of rate constants for the esterification of propan-1-ol with monocarboxylic acids measured under identical experimental conditions were applied. Two parameter Taft equations for the correlation of secondary alkan-2-ols and for monocarboxylic acids were combined, resulting in an overall correlation equation usable for the prediction of reaction rates for secondary alkan-2-ols with any monocarboxylic acid. This equation was experimentally verified for the esterification of three randomly chosen alkan-2-ols with three randomly chosen monocarboxylic acids. </jats:p> |
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| spelling | Vojtko, Ján Durdiak, Jaroslav Lukáčová-Chomisteková, Zuzana Tomčík, Peter 1468-6783 1471-406X SAGE Publications Physical and Theoretical Chemistry http://dx.doi.org/10.1177/1468678319825731 <jats:p> Equilibrium constants and reaction rate constants for the esterification of secondary alkan-2-ols with acetic acid were measured at 60°C in 1,4-dioxane. Taft coefficients, as single parameter (without inductive effects), and two-parameter correlation (including inductive and steric effects), of the measurements were used for the prediction of esterification rate constants for secondary alkan-2-ols with monocarboxylic acids. For this prediction, previously observed results of linear correlation of rate constants for the esterification of propan-1-ol with monocarboxylic acids measured under identical experimental conditions were applied. Two parameter Taft equations for the correlation of secondary alkan-2-ols and for monocarboxylic acids were combined, resulting in an overall correlation equation usable for the prediction of reaction rates for secondary alkan-2-ols with any monocarboxylic acid. This equation was experimentally verified for the esterification of three randomly chosen alkan-2-ols with three randomly chosen monocarboxylic acids. </jats:p> Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations Progress in Reaction Kinetics and Mechanism |
| spellingShingle | Vojtko, Ján, Durdiak, Jaroslav, Lukáčová-Chomisteková, Zuzana, Tomčík, Peter, Progress in Reaction Kinetics and Mechanism, Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations, Physical and Theoretical Chemistry |
| title | Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations |
| title_full | Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations |
| title_fullStr | Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations |
| title_full_unstemmed | Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations |
| title_short | Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations |
| title_sort | prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter taft equations |
| title_unstemmed | Prediction of esterification rate constants for secondary alkan-2-ols based on one- and two-parameter Taft equations |
| topic | Physical and Theoretical Chemistry |
| url | http://dx.doi.org/10.1177/1468678319825731 |