Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Chloroform and 1,2-dichloroethane Based on the Abraham Model Page: 10
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There is therefore very little bias in the predictions using Eqn. 13 with AE equal to -
0.3705 kJ/mole. To our knowledge there has been no previous attempt to correlate
In Table 2 are collected values of the enthalpies of solvation of 88 gaseous solutes
in 1,2-dichloroethane. Regression analyses of the experimental AHsolv, DCE data in
accordance with the Abraham model yielded
AHSolV,DCE = - 2.345 (0.672) + 5.555(0.861) E - 18.328(1.122) S - 9.599(1.794) A -
7.101(1.013) B - 8.045(0.144) L (14)
(with N = 88, SD = 1.72, R2 = 0.982, R2adj = 0.980, F = 875.3.)
AHSolv,DCE = 3.623(1.002) - 3.208(1.050) E - 24.665(1.520) S - 11.165(2.348) A -
6.589(1.322) B - 28.520(0.671) V (15)
(with N = 88, SD = 2.24, R2 = 0.969, R2adj = 0.967, F = 509.1)
Both Eqn. (14) and (15) are statistically very good with standard deviations of 1.72 and
2.24 kJ/mole for a data set that covers a range of 71.7 kJ/mole. Figure 2 compares the
calculated values of AHSol,DCE based on Eqn. (14) against the observed values. To our
knowledge there has been no previous attempt to correlate AHSol,DCE data.
In order to assess the predictive ability of Eqn. 14 we divided the 88 data points
into a training set and a test set by allowing the SPSS software to randomly select half of
the experimental data points. The selected data points became the training set and the
remaining compounds that were left served as the test set. Analysis of the experimental
data in the training set gave
AHSol,DCE (kJ/mole)= - 2.972(0.943) + 4.717(1.443) E- 17.267(1.804) S-
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Mintz, Christina; Burton, Katherine; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.). Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Chloroform and 1,2-dichloroethane Based on the Abraham Model, article, September 15, 2007; [Amsterdam, Netherlands]. (digital.library.unt.edu/ark:/67531/metadc155628/m1/10/: accessed December 13, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.