Eq. ( ) is the conventional means by which µ res,N V T ; ∞ H + is determined from experimental pK a data for a variety of species (e.g., Malloum et al. ), typically by means of continuum solvent calculations to obtain µ res,N V T ; ∞ for the neutral and protonated species. (We note in passing that the term in Eq. ( ) involving the solvent density is often omitted from such calculations; this is a reasonable approximation at 298.15 K for water solvent, where this term is small; however at higher temperatures and for solvents other than water, this may not be the case.) Also, since Eq. ( ) requires experimental data at each temperature, such calculations have mostly been limited to 298.15 K, at which temperature data for many species is available.