Abraham solvation parameter model: determination of experiment-based solute descriptor values for 3,5-dimethoxybenzoic acid based on measured solubility data

ABSTRACT

A spectroscopic method of chemical analysis is used to determine the mole fraction solubilities of 3,5-dimethoxybenzoic acid dissolved in propanenitrile, in eleven additional alkanol solvents (1-pentanol, 1-hexanol, 1-heptanol, 1-octanol, 2-methyl-1-propanol, 2-pentanol, 2-methyl-1-butanol, 3-methyl-1-butanol, 4-methyl-2-pentanol, 2-ethyl-1-hexanol, cyclopentanol) and in three additional alkyl alkanoate solvents (isopropyl acetate, tert-butyl acetate, methyl butyrate) at 298.15 K. Results from our experimental measurements, combined with published partition coefficient and solubility data, are used to calculate the Abraham model solute descriptors of the monomeric form of 3,5-dimethoxybenzoic acid. In total 62 experimental data points were used in the computation. The calculated solute descriptors describe the experimental solubility and partition coefficient data to within an overall standard deviation of 0.064 log units.

KEYWORDS:

• 3,5-dimethoxybenzoic acid
• Abraham model solute descriptors
• molar solubility ratios
• organic solvents

Acknowledgments

The authors acknowledge the National Science Foundation’s Research Experiences for Undergraduates (REU) programme (CHE-1757946) for supporting Catherine Webber’s participation in this research study. Nikita Shanmugam, Amy Zhou and Emily Yao thank the University of North Texas’s Texas Academy of Mathematics and Science (TAMS) programme for providing a summer research scholarship award.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This work was supported by the National Science Foundation Research Experience for Undergraduates (REU) programme Division of Chemistry [CHE-1757946].