Prediction of Vaporization Enthalpy for Pure Organic Compounds by a Group Contribution Method
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F44555601%3A13440%2F03%3A00004215" target="_blank" >RIV/44555601:13440/03:00004215 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Prediction of Vaporization Enthalpy for Pure Organic Compounds by a Group Contribution Method
Original language description
Enthalpy of vaporization have been estimated by a new group contribution methods. In this presentation the new group contribution method is presented. Estimation is performed at three levels. As a result this method is able to distinguish between some isomers, which is its unique feature in comparison with other common group contribution methods. Vaporization enthalpy prediction at 250C was performed by this approach with an absolute and a relative average errors of 1.01 kJ/mol and 2.3 %, resp. (for 792compounds) whereas the errors for estimation at the normal boiling temperature were as follows: 0.96 kJ/mol and 2.6 % (for 601 compounds).
Czech name
Odhad výparné enthalpie čistých organických látek pomocí strukturně příspěvkové metody
Czech description
Výparné entalpie čistých organických látek byly odhadnuty pomocí strukturně příspěvkové metody.
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2003
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemické listy
ISSN
0009-2770
e-ISSN
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Volume of the periodical
97
Issue of the periodical within the volume
8
Country of publishing house
CZ - CZECH REPUBLIC
Number of pages
1
Pages from-to
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UT code for WoS article
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EID of the result in the Scopus database
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