Solubility and solid phase studies of isomeric phenolic acids in pure solvents
authors Vilas-Boas, SM; Brandao, P; Martins, MAR; Silva, LP; Schreiner, TB; Fernandes, L; Ferreira, O; Pinho, SP
nationality International
journal JOURNAL OF MOLECULAR LIQUIDS
author keywords Solubility; Phenolic acids; NRTL-SAC; Melting; X-ray diffraction
keywords ACTIVITY-COEFFICIENT MODEL; DRUG MOLECULE SOLUBILITY; MEDIUM-SIZED CHEMICALS; GALLIC ACID; PLUS WATER; PROTOCATECHUIC ACID; AQUEOUS SOLUBILITY; SYSTEM SELECTION; SALICYLIC-ACID; VANILLIC ACID
abstract The solubilities of gallic, protocatechuic, gentisic or alpha-resorcylic acids were measured in nine pure solvents (water, methanol, ethanol, 1-propanol, 2-propanol, 2-butanone, ethyl acetate, acetonitrile and dimethylformamide) at 298.15 K and 313.15 K, using the analytical isothermal shake-flask method. Additionally, solid phase studies of the selected phenolic acids were carried out using differential scanning calorimetry (DSC) and X-ray diffraction (XRD), giving access to important data on melting properties as well as on the structure of the solid phase before and after the dissolution. The NRTL-SAC model coupled to the reference solvent approach (RSA) were applied to correlate the solubility data in a set of seven solvents and, after used to predict the solubility in 1-propanol and dimethylformamide. Average relative deviations (ARD) between 28 and 40% for the correlation and between 16 and 59% for the predictions were obtained. These values are within the order of magnitude usually found for such type of semipredictive models, using a limited set of data. (C) 2018 Elsevier B.V. All rights reserved.
publisher ELSEVIER SCIENCE BV
issn 0167-7322
year published 2018
volume 272
beginning page 1048
ending page 1057
digital object identifier (doi) 10.1016/j.molliq.2018.10.108
web of science category Chemistry, Physical; Physics, Atomic, Molecular & Chemical
subject category Chemistry; Physics
unique article identifier WOS:000451494700116
  ciceco authors
  impact metrics
journal analysis (jcr 2017):
journal impact factor 4.513
5 year journal impact factor 3.929
category normalized journal impact factor percentile 80.153
dimensions (citation analysis):
altmetrics (social interaction):



 


Apoio

1suponsers_list_ciceco.jpg