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It is often said that "for very strong acids (HCl, H2SO4, etc.), the pKa value cannot be experimentally derived from standard titration and instead needs to be theoretically computed". However, I could not find any way to compute it theoretically. More specifically - I know that the pKa is a constant multiple of the logarithm of the (magnitude of the) Gibbs energy for deprotonation, and I know that the enthalpy part of the Gibbs energy can be computed easily (just decompose both sides into its constituent elements and use Hess' law), but I can't find any mathematical way to compute the entropy part on Wikipedia.

Mithoron
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  • related https://chemistry.stackexchange.com/questions/28022/how-is-the-pka-of-extremely-weak-acids-determined – Mithoron Jan 16 '20 at 01:27

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