Databases

IUPAC offers several electronic databases that facilitate the search and retrieval of the output of its research activities. These are as follows:

Agrochemicals

The aim of this site is to ensure the dissemination of accurate information on the chemistry of agrochemicals and the regulations pertaining to their use in one web site and in an easy to use format. The site also gives access to the FOOTPRINT PPDB (Pesticide Properties Database).

Aqueous Solutions

A package of programs for the quantitative treatment of activity coefficients and a wide range of equilibria in solutions of varying backgrounds, ionic strengths and temperatures. Includes software for speciation calculations and titration simulations.

C-NPU – Nomenclature, Properties, and Units in Laboratory Medicine

This database contains the current C-NPU coded properties; it is searchable by C-NPU code (e.g. NPU01234) or by the elements of which the properties consist (e.g. blood).

Gas Kinetic Database

This website provides kinetic and photochemical evaluated data in the form of summary tables of kinetic data and individual sheets of reaction data, e.g. for some heterogeneous reactions, a number of halogen, Ox, HOx, NOx and SOx photolysis reactions, and a number of gas-phase Ox, HOx, NOx, SOx and organic reactions.

k0-NAA database

This database contains data essential for calculation of analytical results from neutron-activation analysis (NAA). The method used is a comparator method called the k0 method. The database includes recommended values for k0 and other relevant nuclear data.

The database covers solubilities originally published in the IUPAC-NIST Solubility Data Series. Mutual solubilities and liquid-liquid equilibria of binary, ternary and quaternary systems are presented. Typical solvents and solutes include water, sea water, heavy water, inorganic compounds, and a variety of organic compounds such as hydrocarbons, halogenated hydrocarbons, alcohols, acids, esters and nitrogen compounds.

Stability Constants Database

This database gives very fast access to all significant published metal-ligand stability constants with over 22000 literature references and with interactive applications to display speciation curves, to correct for temperature or ionic strength changes etc.

Standards Online

IUPAC Standards Online is a database built from IUPAC’s standards and recommendations, extracted from the journal Pure and Applied Chemistry (PAC). These standards and recommendations are internationally binding for scientists in industry and academia, patent lawyers, toxicologists, environmental scientists, legislation, etc. “Standards” are definitions of terms, standard values, procedures, rules for naming compounds and materials, names and properties of elements in the periodic table, and many more. The database (to be released in early 2016)  will be the only product that provides for the quick and easy search and retrieval of IUPAC’s standards and recommendations which until now have remained unsorted within the huge PAC archive.