Chemical Properties Lookup / Calculator

This webapp aggregates descriptors & properties for chemical compounds.

Note that it both

1. looks up experimental data, and
2. calculates properties for the specified temperature and pressure through parametrized equations

The lookup are done through PubChem and the thermo package¹. More to come in the far future. Gaps in the current collections may be available from other sources (e.g., the CRC Handbook).

The T/P-dependent calculations are done through thermo. These are noted with a 📈 symbol next to the property.

Some tips:

1. You should critical evaluate the sources when using this data. Just because it is a messy looking number does not mean it is credible!
2. Basic programming skills will let you automate the data collection. (If you are my chem student, review the Colab Notebook in your Google Drive.)

To start, in the compound name box, enter either:

• a compound name (e.g., ethyl ethanoate), or
• a CAS number (Chemical Abstract Services, for example, 123-66-0)

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