Water solubility in linear fluoroalkanes used in blood substitute formulations

• Type: Article in International Scientific Journal
• Date: 2006

Authors

Mara G Freire (Author) Other; Ligia Gomes (Author) Other; Luis M N B F Santos (Author) FCUP; Isabel M Marrucho (Author) Other; Joao A P Coutinho (Author) Other

Journal

Title: Journal of Physical Chemistry B

Vol. 110

Pages: 22923-22929

ISSN: 1520-6106

Publisher: American Chemical Society

Indexing

ISI Web of Knowledge - 31 Citations

Scopus - 33 Citations

Scientific classification

FOS: Natural sciences > Chemical sciences

Other information

Authenticus ID: P-004-G2H

DOI: 10.1021/jp0622942

Abstract (EN): The interactions between water and n-perfluoroalkanes or substituted alpha-(omega-) fluoroalkanes used in blood substitute formulations were investigated experimentally and using ab initio calculations. The solubility of water in C(6)-C(9) perfluoroalkanes and five C(8) analogues of substituted fluoroalkanes was measured in the temperature range between 288 and 318 K at atmospheric pressure, using a Karl Fischer coulometer. From these data, the thermodynamic functions and partial molar solvation quantities such as Gibbs energy, enthalpy, and entropy were determined and compared with the interaction energies in 1:1 water-fluoroalkane complexes in vacuum, obtained using B3LYP/6-311++G(d,p). The experimental solubility data indicates a significant specific interaction between the water and the alpha-(omega-)substitute atom (H, I, Br, or Cl) in the fluoroalkanes.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 7