Calculation of Abraham model solute descriptors for 2-naphthoxyacetic acid

Benavides, Darla; Longacre, Laine; Varadharajan, Advika; Acree, William E.

doi:10.1080/00319104.2023.2207713

Cited by 4 publications

(1 citation statement)

References 52 publications

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“…Our recent efforts pertaining to solubility have focused on experimental measurements for crystalline nonelectrolyte solutes dissolved in select organic mono-solvents [14][15][16][17] and in binary aqueous-organic solvent mixtures [18][19][20][21][22]. The measured solubility data has been used in the calculation of the Abraham model solute descriptors [14][15][16][17] and in developing the Abraham model correlations for predicting the solubilities of pharmaceutical compounds in organic solvents used in recrystallization purifications and in co-solvency solubility enhancements [23][24][25][26][27]. Transcutol was one the recent organic solvents for which the predictive Abraham model expressions were reported [23].…”

Section: Introductionmentioning

confidence: 99%

Abraham Model Descriptors for Vitamin K4: Prediction of Solution, Biological and Thermodynamic Properties

Motati,

Kandi

et al. 2023

Liquids

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Spectrophotometric measurements were used to determine the mole fraction solubilities of vitamin K4 dissolved in cyclohexane, methylcyclohexane, 1-heptanol, 2-butanol, 2-pentanol, 2-methyl-1-butanol, 4-methyl-2-pentanol, and cyclopentanol at 298.15 K. Results from our experimental measurements, combined with the published solubility data, are used to calculate the solute descriptors of the vitamin K4 solute. The calculated solute descriptors describe the observed solubility data to within an overall standard deviation of 0.110 log units. The calculated solute descriptors were also used to estimate the several blood-to-rat tissue partition coefficients of vitamin K4, as well as the equilibrium vapor pressure above the solid vitamin at 298 K, and the vitamin’s enthalpy of solvation in both water and in 1,4-dioxane organic mono-solvent.

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