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This was a computational chemistry lab calculating the entropy, enthalpy, and free energy of different diels-alder reactions. The values I have: ethene + cis-1,3-butadiene cyclopentadiene

This was a computational chemistry lab calculating the entropy, enthalpy, and free energy of different diels-alder reactions.

The values I have:

ethene + cis-1,3-butadiene cyclopentadiene + maleic anhydride (ENDO) cyclopentadiene + maleic anhydride (EXO) furan + maleic anhydride (ENDO) furan + maleic anhydride (EXO)
change in enthalpy (kcal/mol) 433.7 -27.9 -29.0 -16.3 -18.1

change in entropy (cal/(mol*K)

-51.2 -51.4 -51.4 -50.7 -50.7
change in free energy (kcal/mol) 449.1 -11.9 -13.7 -1.2 -3.0

The question:

Calculate image text in transcribedH and image text in transcribedS for each reaction. Do the magnitudes of these thermodynamic parameters match what you expect for a cycloaddition reaction? Explain.

I am not sure what the answer would be. I don't know what you would expect for a cycloaddition reaction (because I thought diels-alder was cycloaddition reaction).

Transcribed image text

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