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Extracting Dielectric constant

Open raghavven opened this issue 3 years ago • 1 comments

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.

raghavven avatar Jun 06 '21 11:06 raghavven

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.

nbehrnd avatar Aug 11 '21 09:08 nbehrnd