A Comparison of Gas−Hexadecane and Gas−Apolane Partition Coefficients

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Abstract
Gas−apolane partition coefficients (L87) of 157 nonpolar and polar organic solutes, spanning a wide range of functional groups, dipolarities, and hydrogen-bonding capabilities, are measured by open tubular capillary gas chromatography at 40 °C. The experimental values compare well (R2 = 0.999) with literature values of log L87 from packed-column gas chromatography. The log L87 values are also compared with gas−hexadecane partition coefficients (log L16) at 25 °C. A strong linear relationship exists between log L87 and log L16 for all solutes (R2 = 0.994), as well as for chemically relevant subsets of the data. Therefore, unknown L16 values at 25 °C can be predicted from the corresponding L87 values, which can be measured on open-tubular or packed columns at higher temperatures, due to the low volatility of apolane. Predicted values of L16 would be extremely useful, since log L16 is often the major explanatory parameter in many linear solvation energy relationships.

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