Tables

Tables for Organic Chemistry

This is a collection of data for organic chemistry. So far the focus has been on solvent properties and chromatography. There are also tools for calculating molecular mass and composition from a formula and vice versa.
Currently (Sep 1, 2015) the database contains 15 163 compounds (14 735 structures) with 6 088 compositions. There are 44 356 properties; 17 044 melting points, 4960 boiling points, 4367 densities, 3 485 refractive indicies, 4 229 dipole moments and 1 682 pKa values.
Care has been taken to exclude fictional/ambigous compounds, calculated properties and duplicates although some such items may remain. The chemical formulas of some structure may be displayed in strange ways - most often the fault is with the home-made drawing program.
If you ask kindly I can provide you with 'slices' of the database as CSV or SDF files.