Mohsen-Nia, M. and Ebrahimabadi, A. H. and Niknahad, B. (2012) Partition coefficient n-octanol/water of propranolol and atenolol at different temperatures: Experimental and theoretical studies. Journal of Chemical Thermodynamics, 54 . pp. 393-397. ISSN 0021-9614 http://resolver.caltech.edu/CaltechAUTHORS:20120817-134149628
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The n-octanol/water partition coefficients of propranolol and atenolol were experimentally determined by ultraviolet (UV) spectroscopy at T = (298.15, 310.15 and 314.15) K. All measurements were made at the maximum wavelength corresponding to maximum absorption. The results showed that the n-octanol/water partition coefficients of propranolol and atenolol increase with the increase of temperature. The experimental data of this work were also used to examine the phase equilibrium correlating capability of some liquid-phase models. The equilibrium experimental data were correlated using the NRTL and UNIQUAC activity coefficient models and the binary interaction parameters were reported. The average root-mea n-square deviations (RMSD) between the experimental and calculated mass fractions of the (n-octanol + propranolol + water) and (n-octanol + atenolol + water) systems were determined. From the partition coefficients obtained, it is concluded that propranolol (log P_(ow) = 3.12 ± 0.14) is more hydrophobic than the atenolol (log P_(ow) = 0.16 ± 0.01) at T = 298.15 K.
|Additional Information:||© 2012 Elsevier Ltd. Received 23 March 2012. Revised 18 May 2012. Accepted 18 May 2012. Available online 26 May 2012.|
|Subject Keywords:||Propranolol; Atenolol; Partition coefficient; Phase equilibrium; Activity coefficient model|
|Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Jason Perez|
|Deposited On:||17 Aug 2012 23:50|
|Last Modified:||17 Aug 2012 23:50|
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