Correlation and prediction of partition coefficients from the gas phase and from water to alkan-1-ols / Michael H. Abraham in Industrial & engineering chemistry research, Vol. 47 n°11 (Juin 2008)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 47 n°11 (Juin 2008) . - p. 3990–3995 Titre : Correlation and prediction of partition coefficients from the gas phase and from water to alkan-1-ols Type de document : texte imprimé Auteurs : Michael H. Abraham, Auteur ; Asadollah Nasezadeh, Auteur ; William E. Acree Jr., Auteur Année de publication : 2008 Article en page(s) : p. 3990–3995 Note générale : Bibliogr. p. 3994-3995 Langues : Anglais (eng) Mots-clés : Partition coefficients -- correlation  Water  Gas Résumé : Partition coefficients, PS, have been obtained from the literature for partitions from water and from the gas phase to wet butan-1-ol, pentan-1-ol, hexan-1-ol, heptan-1-ol, nonan-1-ol, and decane-1-ol. Equations based on the Abraham descriptors have been constructed for the correlation of the 12 sets of coefficients to yield equations for the prediction of further coefficients. The number of compounds used in the regressions ranges from 54 (the decan-1-ol system) to 106 (the pentan-1-ol system), and the standard deviation (SD) in the regression equations is from 0.13 to 0.18 in log PS, except for the water-to-butan-1-ol system, where it is 0.23 log units. For the gas-to-wet alcohol partitions, the SD values are about 0.02 log units larger than for the corresponding water-to-wet alcohol partitions. The coefficients in the regression equations alter quite regularly with increase in size of the alcohol and can be used to deduce the chemical properties of the wet alcohols that influence partition. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800020s [article] Correlation and prediction of partition coefficients from the gas phase and from water to alkan-1-ols [texte imprimé] / Michael H. Abraham, Auteur ; Asadollah Nasezadeh, Auteur ; William E. Acree Jr., Auteur . - 2008 . - p. 3990–3995. Bibliogr. p. 3994-3995 Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 n°11 (Juin 2008) . - p. 3990–3995 Mots-clés : Partition coefficients -- correlation  Water  Gas Résumé : Partition coefficients, PS, have been obtained from the literature for partitions from water and from the gas phase to wet butan-1-ol, pentan-1-ol, hexan-1-ol, heptan-1-ol, nonan-1-ol, and decane-1-ol. Equations based on the Abraham descriptors have been constructed for the correlation of the 12 sets of coefficients to yield equations for the prediction of further coefficients. The number of compounds used in the regressions ranges from 54 (the decan-1-ol system) to 106 (the pentan-1-ol system), and the standard deviation (SD) in the regression equations is from 0.13 to 0.18 in log PS, except for the water-to-butan-1-ol system, where it is 0.23 log units. For the gas-to-wet alcohol partitions, the SD values are about 0.02 log units larger than for the corresponding water-to-wet alcohol partitions. The coefficients in the regression equations alter quite regularly with increase in size of the alcohol and can be used to deduce the chemical properties of the wet alcohols that influence partition. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800020s

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