Batch Parameter Estimation
Instantly estimate PC-SAFT parameters for multiple molecules at once.
Paste a list of InChI or SMILES identifiers below — one per line — and let GNNePCSAFT handle the rest!
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Tip: Enter one InChI or SMILES per line.
Example:
Example:
CCO
CC
O
CC(O)C
Find identifiers at PubChem or build your own at DIYmol.
Try the new AI Chat!
Chat with the GNNePCSAFT agent to get thermodynamic properties for your molecules, such as density, vapor pressure, enthalpy of vaporization, and more — all in natural language!
Available in the desktop app for Windows, Mac, and Linux.