A multiparametric curve-fitting technique for pK, calculation has been adapted for use with a programmable calculator or microcomputer. This method provides for the convenient and accurate determination of the ionization constant in aqueous solution and of the apparent ionization constant in the presence of octanol. From these parameters, partition coefficients and apparent partition coefficients are easily calculated and agree with data reported using the shaker technique or HPLC. The curve-fitting method has been applied to the differential titration technique in which the solvent curve is subtracted from the solution curve before calculations are begun. This method has been applied t~ the potentiometric titration of aqueous solutions of the salts of bases with a very low solubility in water.
Keyphrases 0 Partition coefficients-octanol-water, determination by a multiparametric curve-fitting technique, adaptation to a programmable calculator/microcomputer Curve fitting -multiparametric, octanol-water partition coefficient and pK, determination, adaptation to a programmable calculator/microcomputer Differential titration-use with curve-fitting technique for the determination of pK, and octanol-water partition coefficients, programmable calculator/microcomputer