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Quick question: Any one knows a resource for Cohesive Energy Density of some organic materials ?
I am not looking for any specific molecule, actually I want to plan my project based on available data. I have found some tables for internal cohesive pressure but could not find any thing for CED.
Anything including tables/papers and books are fine.
Some resources to get you started:
Where the authors use cohesive energy density as part of their research to develop
strong correlations between bulk behavior and theoretical pure component character, and use those correlations to motivate a discussion of what drives polymer miscibility.
The Materials Design webpage Organic Materials Properties: Densities, Cohesive Energies, and Heats of Vaporization contains a couple of lists and information pertaining to a computer based modelling tool. Also included is a bibliography of further resources.
The Tampere University of Technology in Finland's webpage Exploitation of CED provides a list of CEDs of several organic compound, as well as an explanation and further information on the previous and next pages.
Cohesive energy density (CED) of polymers and organic liquids may be calculated using group contribution method based on tabular data given in:
D. W. Van Krevelen and K. Te Nijenhuis, “Chapter 7: cohesive properties and solubility,” in Properties of Polymers: Their Correlation with Chemical Structure: Their Numerical Estimation and Prediction from Additive Group Contributions, Elsevier, Amsterdam, The Netherlands, 4th edition, 2009.
To calculate cohesive energy (in $\mathrm{J/mol}$) of some compound you have to know its chemical structure. Split this structure into groups which can be seen in tables and add together contributions from each group. To obtain CED (in $\mathrm{J/cm^3}$) you have to divide summation result by molar volume of this compound.
CED calculated in this way is not very accurate. However, it may be helpful for comparing CED of different compounds.
