Question

Please answer throughly A) B) C)

Name 2. Construct the models for the following substituted cycloalkanes and minimize the structure in the builder mode. Calculate the heats of formation by doing a single point energy (AMI) calculation. In the set-up mode give the inputs as single point energy and AM1, and then submit the calculation). Answer the following questions based on the data you obtain. molecular formula: Cy Hi Gq H4 GH14 67.81 Kyne) 45.96 9/me! 23.66X7/md A) What is the relationship between the above four structures? 9 H14 30,2615/mol ΔΗ: B) Which is thermodynamically the most stable compound? What data do you have to support this? C) Which compound would you expect to have the maximum heat of combustion and why?

Answer 1

A) Above 4 structures are structural isomers because it have same molecular formula but having different structures.

B) 1-methyl cyclohexane is the thermodynamic most stable compound because it have the less strain then other ring and also exhibit in two stable form chair and boat form.

C) The more the desirable compound more will be it's heat of combustion. So, the three member cyclic has the most strained cyclic compound and it is most destabilized so it has the maximum heat of combustion.