Abstract
Temperature-dependent experimental hexadecan-1-ol/air partition coefficients of numerous organic solutes are regressed against molecular interaction parameters to derive a linear solvation energy relationship (LSER) for each experimental temperature. The system constants derived by these regressions are linearly related to reciprocal absolute temperature, allowing their extrapolation to 298.15 K and the establishment of a LSER equation for the hexadecan-1-ol/air partition coefficients at 298.15 K. This equation yields predictions comparable to those of another LSER equation for that parameter that is independently derived by extrapolating the system constants of smaller aliphatic alcohols to the chain length of hexadecan-1-ol. This confirms that the solvation properties of the long-chain alkanols can be extrapolated from those of smaller normal alcohols. Hexadecan-1-ol/air partition coefficients for the same solutes are also predicted using SPARC and calculated from vapor pressure data from the literature...
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