Development of Abraham model correlations for predicting enthalpies of solvation of nonionic solutes dissolved in formamide

Comment on “Measurement and Correlation of the Solubility of p-Coumaric Acid in Nine Pure and Water + Ethanol Mixed Solvents at Temperatures from 293.15 to 333.15 K”

“…The predicted values pertain to 298.15 K. The calculated solute descriptors are independent of temperature; however, the equation coefficients that we have for the organic solvents and for the binary aqueous–ethanol solvent mixtures pertain only to 298.15 K. For some of the solvents one can extend the log ( P or C S,organic / C S,water ) and log ( K or C S,organic / C S,gas ) predictions to slightly lower or slightly higher temperatures using the predicted enthalpies of solvation for p -coumaric acid dissolved in the respective solvent. We have developed enthalpy of solvation equations , for several of the organic solvents listed in Table . Solubility predictions at other temperatures would require knowledge of log C S,water and log C S,gas at the new temperature.…”

Determination of Various Properties of Ethyl Actetate + n-Butanol Binary Mixture at Different Temperatures

“…When n-butanol is added to ethyl acetate it results in considerable decrease in intermolecular spaces between the molecules as suggested by Jacobson [21]. This contributes to increase in free volume and hence the decrease in the internal pressure and enthalpy giving raise to the negative Vf E and positive π E and H E values as its dilution causes disruption of the aromatic C-H bond stretching.…”

Calculation of Abraham model L-descriptor and standard molar enthalpies of vaporization and sublimation for C9 - C26 mono-alkyl alkanes and polymethyl alkanes

“…Abraham model correlations are available for predicting the enthalpies of solvation of solutes in several common organic solvents as well. [45][46][47][48][49][50][51][52][53][54][55] Each of our published Abraham model correlations uses the same set of solute descriptors for a given compound, irrespective of the property being predicted.…”

“…A complete set of solute descriptors enables one to estimate a large number of physicochemical and thermodynamic properties using published Abraham model correlations. To date we have reported mathematical expressions for predicting log K and log P values for solutes dissolved in both traditional molecular organic solvents [39][40][41][42][43] and ionic liquid solvents, [64][65][66][67][68][69][70][71][72][73] molar solubility ratios, [39][40][41][42][43] blood-to-body tissue/fluid partition coefficients, [74][75][76][77][78] Draize scores and eye irritation thresholds, [79][80][81] enthalpies of solvation, [45][46][47][48][49][50][51][52][53][54][55] lethal median concentrations of organic compounds towards fish and other aquatic organisms, [82][83][84][85] nasal pungency, 79,[86]…”