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 H and S 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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Question: 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 H and S 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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