Tables for Organic Chemistry

This is a collection of data and tools for organic chemistry. Most pages here are based on an underlying database relating properties to chemical structures.
Currently (Jan 1, 2020) the database contains 50 000 compounds. There are approximately 200 000 properties including melting points for 29 000 compounds, 8 000 boiling points, 13 000 densities, 9 000 refractive indicies, 5 000 dipole moments and 2 000 pKa values.
Substances that are mixtures have been excluded with the exception of racemates.
The chemical formulas of some compounds are displayed in strange ways - most often the fault is with the home-made drawing program.
Extracts of the database as CSV, TSV or SDF files are available on request. (🖂 )
Always remember to include a valid return address with any e-mail!

September 2023: Hansen δ values have been corrected so that all values are using the same units. Additional values have been added.
April 2023: Update of database is ongoing. Data from additional sources is being added and a plan for validation of compounds and properties is being developed.
April 2020: InChiKeys and SMILES have been added. About 500 compounds are still lacking valid descriptors.