The methods of prediction of vaporization enthalpy for acyclic oxygen containing compounds
In this paper were analyzed the prognostic opportunity of some semi-empirical methods (additive, additive-correlation, QSPR-methods) used to calculate enthalpies of vaporization (298.2K) acyclic oxygen-containing compounds. Used literature data and our own experimental research by the author in the...
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| Format: | Article |
| Language: | Russian |
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MIREA - Russian Technological University
2015-02-01
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| Series: | Тонкие химические технологии |
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| Online Access: | https://www.finechem-mirea.ru/jour/article/view/212 |
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| _version_ | 1849685376308871168 |
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| author | E. L. Krasnykh |
| author_facet | E. L. Krasnykh |
| author_sort | E. L. Krasnykh |
| collection | DOAJ |
| description | In this paper were analyzed the prognostic opportunity of some semi-empirical methods (additive, additive-correlation, QSPR-methods) used to calculate enthalpies of vaporization (298.2K) acyclic oxygen-containing compounds. Used literature data and our own experimental research by the author in the development of the concept of molecular connectivity based on the index approach is proposed QSPR-method for the calculation of enthalpies of vaporization (298.2K) with high accuracy for the esters and ethers, aldehydes, ketones, alcohols and carboxylic acids. |
| format | Article |
| id | doaj-art-05bb3399c7c040b687d09825351bbae4 |
| institution | DOAJ |
| issn | 2410-6593 2686-7575 |
| language | Russian |
| publishDate | 2015-02-01 |
| publisher | MIREA - Russian Technological University |
| record_format | Article |
| series | Тонкие химические технологии |
| spelling | doaj-art-05bb3399c7c040b687d09825351bbae42025-08-20T03:23:08ZrusMIREA - Russian Technological UniversityТонкие химические технологии2410-65932686-75752015-02-011011328206The methods of prediction of vaporization enthalpy for acyclic oxygen containing compoundsE. L. Krasnykh0Samara State Technical University, Samara, 443100In this paper were analyzed the prognostic opportunity of some semi-empirical methods (additive, additive-correlation, QSPR-methods) used to calculate enthalpies of vaporization (298.2K) acyclic oxygen-containing compounds. Used literature data and our own experimental research by the author in the development of the concept of molecular connectivity based on the index approach is proposed QSPR-method for the calculation of enthalpies of vaporization (298.2K) with high accuracy for the esters and ethers, aldehydes, ketones, alcohols and carboxylic acids.https://www.finechem-mirea.ru/jour/article/view/212enthalpy of vaporization, prediction, additivity methods, qspr-methods, additivecorrelation methods, oxygen containing compounds. |
| spellingShingle | E. L. Krasnykh The methods of prediction of vaporization enthalpy for acyclic oxygen containing compounds Тонкие химические технологии enthalpy of vaporization, prediction, additivity methods, qspr-methods, additivecorrelation methods, oxygen containing compounds. |
| title | The methods of prediction of vaporization enthalpy for acyclic oxygen containing compounds |
| title_full | The methods of prediction of vaporization enthalpy for acyclic oxygen containing compounds |
| title_fullStr | The methods of prediction of vaporization enthalpy for acyclic oxygen containing compounds |
| title_full_unstemmed | The methods of prediction of vaporization enthalpy for acyclic oxygen containing compounds |
| title_short | The methods of prediction of vaporization enthalpy for acyclic oxygen containing compounds |
| title_sort | methods of prediction of vaporization enthalpy for acyclic oxygen containing compounds |
| topic | enthalpy of vaporization, prediction, additivity methods, qspr-methods, additivecorrelation methods, oxygen containing compounds. |
| url | https://www.finechem-mirea.ru/jour/article/view/212 |
| work_keys_str_mv | AT elkrasnykh themethodsofpredictionofvaporizationenthalpyforacyclicoxygencontainingcompounds AT elkrasnykh methodsofpredictionofvaporizationenthalpyforacyclicoxygencontainingcompounds |