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IUPAC-NIST Solubility Database

IUPAC-NIST Solubility Database, Version 1.0
NIST Standard Reference Database 106


The IUPAC-NIST Solubilities Database is an online database containing nearly 70,000 solubility measurements, primarily liquid-liquid systems, derived from 18 volumes (1) of the IUPAC Solubility Data Series.

Data is given for binary, ternary and quaternary systems. Typical solvents and solutes include water, sea water, heavy water, inorganic and organic compounds. There are about 1800 chemical substances with literature references.

A detailed description of the Solubility Data Project, presentation formats, evaluations, quantities & units, nomenclature, and definitions is given in the introduction.

A variety of approaches to searching are listed on the Database Search Menu.

1. The Data Series IUPAC (Volume titles) provides links to the volume contents, e.g.,

  • Volume 60. Halogenated Methanes with Water
  • Volume 62. Carbon Dioxide in Water and Aqueous Electrolyte Solutions
  • Volume 66. Ammonium Phosphates
which can be quickly scanned for systems of interest.

2. Solubility System Name offers a 'pull-down' menu of system names in 'alphabetical' order.

3. One Component System (search) provides search boxes for either CASRN, Chemical Name (either exact or substring) or Molecular Formula (IUPAC for inorganics, Hill for organics) which retrieve systems with the component either as a solute or solvent.

4. Two Component System (search) offers combinations of:

  • Two CAS Registry Numbers
  • Two Chemical Names (either exact or substring)
  • Two Molecular Formulas
  • One CAS Registry Number and One Chemical Name (either exact or substring)
  • One CAS Registry Number and One Molecular Formula
  • One Chemical Name (either exact or substring) and One Molecular Formula
5. Scientific Citation offers author/year searching for literature references.


1. The IUPAC-NIST Solubilities Database includes the following systems:

  • Acetonitrile Binary Systems
  • Ammonium Phosphates
  • Carbon Dioxide in Water and Aqueous Electrolyte Solutions
  • Ethene
  • Halogenated Aliphatic Compounds C3-C14 with Water
  • Halogenated Benzenes, Toluenes and Phenols with Water
  • Halogenated Methanes, Ethanes and Ethenes with Water
  • Hydrocarbons in Water and Seawater, Part I-II
  • Metal and Ammonium Formate Systems
  • Nitroalkanes with Water or Organic Solvents
  • Polycyclic Aromatic Hydrocarbons: Binary Non-aqueous Systems
  • Solubility of Gases in Glassy Polymers
  • Ternary Alcohol-Hydrocarbon-Water Systems

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