Aqueous Solubility Data Inorganic Compound Dataset

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This dataset contains experimental water solubility data for hundreds of inorganic compounds, derived from multiple references, for use in the field of materials informatics. All solubility data are expressed in grams of solute per 100 grams of water. The data is provided as is for educational purposes only, and the accuracy of the data is not guaranteed.

Dataset File

all_solubilities_v1.csv

• describe: The merged dataset containing all solubility data.
• Column Information:
  • formula: The chemical formula of the compound. Hydrate is represented by (H2O)$_n$.
  • reduced_formula: Chemical formula processed by pymatgen's Composition.reduced_formula method.
  • solubility_XXC: The water solubility of a compound at XX degrees Celsius, expressed in grams of solute per 100 grams of water.

solubilities.csv

• describe: Raw file containing solubility data.
• Column Information:
  • formula: The chemical formula of a compound.
  • reduced_formula: Chemical formula processed by pymatgen's Composition.reduced_formula method.
  • solubility_XXC: The water solubility of a compound at XX degrees Celsius, expressed in grams of solute per 100 grams of water.
• Data Source: CRC Handbook of Chemistry and Physics, 91th Edition, 2010, 8-112 through 8-117.

solubility_products.csv

• describe: Contains solubility product ($K_{sp}$) data for various inorganic compounds, except sulfides.
• Column Information:
  • compound: Compound name.
  • formula: The chemical formula of a compound.
  • reduced_formula: Chemical formula processed by pymatgen's Composition.reduced_formula method.
  • ksp_25C: Solubility product of the compound at 25ºC ($K_{sp}$).
• Data Source: CRC Handbook of Chemistry and Physics, 87th Edition, 2006, 8-118 and 8-119.