Development of Abraham model expressions for predicting the standard molar enthalpies of vaporization of organic compounds at 298.15 K

作者: Brittani Churchill , William E. Acree , Michael H. Abraham

DOI: 10.1016/J.TCA.2019.178372

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摘要: Abstract Published experimental standard molar enthalpies of vaporization data at 298.15 K have been compiled from the chemical and engineering literature for 703 liquid organic organometallic compounds. The are used to develop predictive expressions based on Abraham model. derived correlations provide reasonably accurate mathematical descriptions observed vaporization. Standard deviations between back-calculated order 2.2 kJ mol−1, which is comparable (if not better than) many existing methods. can be estimate additional compounds 298.15 K, provided that model compound descriptors known.

参考文章(70)
Erin Hart, Damini Grover, Heidi Zettl, William E. Acree, Michael H. Abraham, Abraham model enthalpy of solvation correlations for solutes dissolved in dimethyl carbonate and diethyl carbonate Physics and Chemistry of Liquids. ,vol. 53, pp. 732- 747 ,(2015) , 10.1080/00319104.2015.1042478
Mikhail A Varfolomeev, Ilnaz T Rakipov, Artashes A Khachatrian, William E Acree Jr, Michela Brumfield, Michael H Abraham, None, Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations Thermochimica Acta. ,vol. 617, pp. 8- 20 ,(2015) , 10.1016/J.TCA.2015.08.015
Ouardia Rebas, Belkacem Boutra, Nachida Skander, Chems Eddine Chitour, Prédiction de l'enthalpie et de l'entropie de vaporisation normale par la méthode de contribution de groupes avec interactions des hydrocarbures purs, mélanges simples et fractions pétrolières Canadian Journal of Chemical Engineering. ,vol. 94, pp. 175- 191 ,(2016) , 10.1002/CJCE.22343
Erin Hart, Damini Grover, Heidi Zettl, Victoria Koshevarova, William E. Acree, Michael H. Abraham, Development of Abraham model expressions for predicting the enthalpies of solvation of solutes dissolved in acetic acid Physics and Chemistry of Liquids. ,vol. 54, pp. 141- 154 ,(2016) , 10.1080/00319104.2015.1079194
Christina Mintz, Katherine Burton, Tara Ladlie, Michael Clark, William E. Acree, Michael H. Abraham, Enthalpy of solvation correlations for gaseous solutes dissolved in dibutyl ether and ethyl acetate Thermochimica Acta. ,vol. 470, pp. 67- 76 ,(2008) , 10.1016/J.TCA.2008.02.001
Michael H. Abraham, William E. Acree, The solubility of liquid and solid compounds in dry octan-1-ol Chemosphere. ,vol. 103, pp. 26- 34 ,(2014) , 10.1016/J.CHEMOSPHERE.2013.10.095
Luwei Zhao, Na Ni, Samuel H. Yalkowsky, A modification of Trouton's rule by simple molecular parameters for hydrocarbon compounds Industrial & Engineering Chemistry Research. ,vol. 38, pp. 324- 327 ,(1999) , 10.1021/IE9803570
Farhad Gharagheizi, Determination of normal boiling vaporization enthalpy using a new molecular-based model Fluid Phase Equilibria. ,vol. 317, pp. 43- 51 ,(2012) , 10.1016/J.FLUID.2011.12.024
Franklin J. Wright, Latent heat of vaporisation and composition Recueil des Travaux Chimiques des Pays-Bas. ,vol. 79, pp. 784- 789 ,(2010) , 10.1002/RECL.19600790803