I am looking for total polarity of a chemical. I have found its estimated dipole moment (D) and Topological Polar Surface Area (TPSA) using Avogadro software and moleinspiration.com. I was wondering if these 2 properties indicate total polarity of a chemical.
Do your estimation concern an atom? Then what do you mean by "total polarity", what for? It depends of whether it is solid, liquid or gas.
I agree with Vladimir, a "total polarity" is difficult to define. I checked that this notion was used in chromatography long ago. For a solvent or a solute, “polarity” depends on molecular and/or bulk properties. There was a number of empirical parameters designed for description of solute/solvent interactions. Depending of the application, different parameters / properties may apply. I fear that theoretical calculations only give a partial picture of the so-called “total” polarity.
Hello, you can use the website molinspiration (http://www.molinspiration.com/cgi-bin/properties).
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