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mcs07 / PubChemPy

Python wrapper for the PubChem PUG REST API.
http://pubchempy.readthedocs.io
MIT License
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Extracting Dielectric constant #54

Open raghavven opened 3 years ago

raghavven commented 3 years ago

Hi,

How can we extract dielectric constant of of a solvent (say water) from the pubchem. I tried the code given in the manual for properties like MolecularWeight, HBondDonorCount etc and they worked. When I replace them with DielectricConstant it gives me the following error.

pubchempy.BadRequestError: 'PUGREST.BadRequest

Can someone please help me extract the DielectricConstant.

Thank you.

nbehrnd commented 3 years ago

PubChem's entry #962 about water holds in section 3.3 a link to SpringerMaterials about the dielectric constant, but not the value of the dielectric constant itself (their page). And SpringerMaterials is a commercial database. This might be a reason to yield the error you report.

A few data are listed on wikipedia, in public sections of the Dortmund Data Bank. The CRC Handbook of Chemistry and Physics (section 6, fluid properties) lists many (as permittivity), too.