화학공학소재연구정보센터
Thermochimica Acta, Vol.523, No.1-2, 214-220, 2011
Enthalpy of solvation correlations for organic solutes and gases dissolved in 2-propanol, 2-butanol, 2-methyl-1-propanol and ethanol
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 2.25 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 salvation 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. (C) 2011 Elsevier B.V. All rights reserved.