Enthalpy of solvation correlations for organic solutes and gases dissolved in 2-propanol, 2-butanol, 2-methyl-1-propanol and ethanol

Abstract

Data have been assembled from the published literature on the enthalpies of solvation for 91 organic vapors and gaseous solutes in 2-propanol, for 73 gaseous compounds in 2-butanol, for 85 gaseous compounds in 2-methyl-1-propanol and for 128 gaseous compounds in ethanol. It is shown that an Abraham solvation equation with five descriptors can be used to correlate the experimental solvation enthalpies to within standard deviations of 2.24 kJ/mole, 1.99 kJ/mole, 1.73 kJ/mole and 2.54 kJ/mole for 2-propanol, 2-butanol, 2-methyl-1-propanol and ethanol, respectively. The derived correlations provide very accurate mathematical descriptions of the measured enthalpy of solvation data at 298 K, which in the case of ethanol span a range of 136 kJ/mole. Division of the experimental values into a training set and a test set shows that there is no bias in predictions, and that the predictive capability of the correlations is better than 3.5 kJ/mole.

Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations

“…This study continues our combined experimental and theoretical examination of gas-toorganic solvent transfer processes for nonelectrolyte solutes [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19]. Such processes govern chemical separations by gas-liquid chromatography, measurement of solubilities and activity coefficients by inert-gas stripping methods, and the removal and pre-concentration of volatile organic solutes from aqueous analytical samples using headspace single drop micro-extraction methods.…”

“…In previous publications [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15] we have developed Abraham model correlations:…”

“…The organic solvents included several saturated hydrocarbons [1,2] and aromatic hydrocarbons [1,3,4], chlorinated alkanes [4][5][6], several primary, secondary and tertiary alcohols [7][8][9][10][11], two dialkyl carbonates [12], one alkyl acetate solvent [13], one dialkyl ether [13] and two cyclic ethers [6,8], as well as several miscellaneous organic solvents [9,14,15]. In each case eqns.…”

Heats of Solution of Liquid Solutes in Various Solvents

“…At the present, there are a lot of data on the heats of mixing of binary liquid systems [1][2][3][4][5] and considerably less data on the heats of solution from direct calorimetric measurements [6][7][8][9][10][11]. In two handbooks [1,2] about 2500 tables of data on the heats of mixing (Δ mix ) of the different liquid solutes in organic and inorganic solvents have been collected, whence the values of the enthalpies of solution were calculated.…”

“…In the case of ideal solution, there is a complete compensation of breaking and forming energy in (1) with zero value of Δ soln A S . In overwhelming majority of measurements, the values of the heat of solution differ from zero and supply with the additional information for analysis of the nature of these steps [10,11].…”