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Group contribution correlation for aqueous solubilities of solid aromatics, heterocycles, and diamondoids over a 200 K temperature interval / Pavel Karásek in Industrial & engineering chemistry research, Vol. 49 N° 7 (Avril 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 7 (Avril 2010) . - pp. 3485–3491 Titre : Group contribution correlation for aqueous solubilities of solid aromatics, heterocycles, and diamondoids over a 200 K temperature interval Type de document : texte imprimé Auteurs : Pavel Karásek, Auteur ; Josef Planeta, Auteur ; Michal Roth, Auteur Année de publication : 2010 Article en page(s) : pp. 3485–3491 Note générale : Industrial Chemistry Langues : Anglais (eng) Résumé : A recent group contribution correlation for solubilities of solid polycyclic aromatic hydrocarbons and heterocycles [Ind. Eng. Chem. Res. 2008, 47, 620] in pressurized hot water (PHW) has been extended by including new solubility data for solid aromatic carbonyl compounds and lower diamondoid hydrocarbons. The model provides a relatively reasonable reproduction of experimental solubilities in PHW over a 200 K temperature interval and a fair prediction of low-pressure aqueous solubilities of organic nonelectrolyte solids at 298 K or below. The individual group contributions provide insight into how the hydrophobicity/hydrophilicity of a group varies with temperature. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901348d [article] Group contribution correlation for aqueous solubilities of solid aromatics, heterocycles, and diamondoids over a 200 K temperature interval [texte imprimé] / Pavel Karásek, Auteur ; Josef Planeta, Auteur ; Michal Roth, Auteur . - 2010 . - pp. 3485–3491. Industrial Chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 7 (Avril 2010) . - pp. 3485–3491 Résumé : A recent group contribution correlation for solubilities of solid polycyclic aromatic hydrocarbons and heterocycles [Ind. Eng. Chem. Res. 2008, 47, 620] in pressurized hot water (PHW) has been extended by including new solubility data for solid aromatic carbonyl compounds and lower diamondoid hydrocarbons. The model provides a relatively reasonable reproduction of experimental solubilities in PHW over a 200 K temperature interval and a fair prediction of low-pressure aqueous solubilities of organic nonelectrolyte solids at 298 K or below. The individual group contributions provide insight into how the hydrophobicity/hydrophilicity of a group varies with temperature. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901348d