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Analytical Chemistry Division (V)


Number: 2000-004-2-500

Title: IUPAC Stability Constants Database - completion of data collection up to 2000+

Task Group

Members: K.J. Powell, K.I. Popov, and V. Solovev

Completion Date: 2005 - project completed
Continuation under project 2005-014-1-500

To complete, as far as is practical, the collection of literature values for stability constants up to the year 2000.

IUPAC, through Commission V.6, has been collecting stability constant data since about 1955 and has published two volumes of literature values, IUPAC Chemical Data Series Nos. 21 (1982) and 22 (1979), in addition to volumes published earlier by the Royal Society of Chemistry (London). Data for 1974-1987 were collected by Commission V.6 and saved in a computer-based format by Academic Software who wrote interrogation software. The resulting database, the IUPAC Stability Constants Database (SC-Database) in its current format: Release 4, is available as a full 32-bit version for Windows 98 and NT. Errors in the book data have been located and corrected. New literature data (from 1987) have been added as opportunity allowed.
> See Release 4 announcement

The major data collectors have been Dr. L Pettit, Prof. K. Powell and Commission V.6 (Project 560/9/83) plus other colleagues outside IUPAC. SC-Database currently contains over 82,000 records gathered from over 18,000 references (1887 to mid-1990's) and covers about 7,500 different ligands. The majority of data entered for the last 20 years have been abstracted from main-stream inorganic and physical chemistry journals.

This project was presented at a poster session at the IUPAC Congress/GA July 2001
>view pdf - 136KB<

> See list of abstracted journals

Currently the database holds stability constant data on 8858 ligands; 313 new ligands since April 2004 (all with .mol file structures) from 22045 references and holds 104260 records (ligand-metal-reference combinations).

This project was presented at a poster session at the IUPAC Congress/GA July 2005
>view pdf - 145KB<

The current database is available for external review. The database is currently distributed on CD, with a printed manual.
> Nov 2004 report update (pdf file - 11KB)

project completed
This project
- captured data for 47 journals, ca 1995-2001,
- captured some 1000 "missed" references (1970-95),
- corrected many errors transferred from the book volumes (1900-1973)
- completed compilation for 8 additional or new journals (environmental, engineering and biochemical) bringing the total to 55 journals.

Continuation under project 2005-014-1-500 to complete the data collection up to 2006.

Last update: 22 September 2005

<project announcement published in Chem. Int. 23(1) 2001>

Questions or Comments about this Project
Please contact the Coordinator

Page last modified 17 December 2005
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