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Topic: Equilibrium population distribution based off Molecular Modeling  (Read 2810 times)

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brycechavez

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Equilibrium population distribution based off Molecular Modeling
« on: September 11, 2005, 11:45:53 PM »
Hey I was working on finding the percentage of which conformation of cis-1-bromo-2-methyl-cyclohexane would be assuming they were the only two conformers. I tried looking at an old organic book and relating the question to enthalpy  and free energy with respect to delta G=G(products)-G(reactants)= -RT lnK

I understand that each substituent has a certain percentage per axial/equatorial as well as certain K  and Kj/mol value but I dont know how to go from kj/mol to percent values. I've looked all over my text and found sample percents for say a mono-substituted 'X' on a cyclohexane ring (i.e. -F is 40% axial,60% equatorial or methyl is 5% axial...)

I'm not looking for the answer for my specific problem but I dont know if my answer is something I can look up as you would look up an NMR spectra or something I can calculate based on the information I know in the first paragraph. I really do like organic so as all the disclosures say I have spent time looking but basically I need some guidance in the right direction as a teacher would in office hours. Anyways if anyone knows a bit I'd love their guidance!

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