IUPAC/Dissociation-Constants: v2.3b

This release includes the labeled data, digitization report, method keys, and partial reference keys as part of the IUPAC Digitized pKa Dataset. For more information, please review the Data Digitization Report attached in this repository. Our validation process is ongoing and will continue; please be advised that a few errors and inconsistencies may still exist.

The digitized books in this collection include:

• Serjeant: International Union of Pure and Applied Chemistry, E. P Serjeant and Boyd Dempsey. Ionisation Constants of Organic Acids in Aqueous Solution; Oxford/Pergamon, 1979 (Oxford IUPAC chemical data series)
• Perrin: International Union of Pure and Applied Chemistry, DD Perrin. Dissociation Constants of Organic Bases in Aqueous Solution; Butterworths, 1965
• Perrin Supplement: International Union of Pure and Applied Chemistry, DD Perrin. Dissociation Constants of Organic Bases in Aqueous Solution, Supplement; Butterworths, 1972

Updates from previous version:

• Wherever possible, standardized labels like "pK(OH)" into a numerical value "pK1", with the site info ("OH") going into the entry's Remarks. In general, this is to reduce the occurrence of unique pKa types.
• Fixed incorrect acidity types for a small number of compounds.
• Standardized some entry Remarks to avoid minor differences (e.g. extra number of spaces, commas, periods)