CaltechAUTHORS
  A Caltech Library Service

Partition coefficient n-octanol/water of propranolol and atenolol at different temperatures: Experimental and theoretical studies

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. https://resolver.caltech.edu/CaltechAUTHORS:20120817-134149628

Full text is not posted in this repository. Consult Related URLs below.

Use this Persistent URL to link to this item: https://resolver.caltech.edu/CaltechAUTHORS:20120817-134149628

Abstract

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.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1016/j.jct.2012.05.021DOIUNSPECIFIED
http://www.sciencedirect.com/science/article/pii/S0021961412002108PublisherUNSPECIFIED
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
Record Number:CaltechAUTHORS:20120817-134149628
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20120817-134149628
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:33300
Collection:CaltechAUTHORS
Deposited By: Jason Perez
Deposited On:17 Aug 2012 23:50
Last Modified:03 Oct 2019 04:08

Repository Staff Only: item control page