Using the data provided in J. Chem. Inf. Comput. Sci., Vol. 35, No. 3, 1995, p. 554 do the following:

1. You been assigned one topological index by your instructor.
2. Select 30 molecules from the list. It is not important how you select them for the purposes of this experiment, but don't simply take the first 30 or the last 30 -- it is useful for different students to use different sets of data so that we might compare the results obtained afterwards.
3. Using the Topological Index Calculator, enter the bond connections for your thirty molecules, as instucted in class. Compute a value then record the molecule no. from the table and the value of your index; repeat for each of your 30 molecules.
4. Using the Excel spreadsheet provided, enter the values of the topological index and (from the table) the values of the boiling point for each of the 30 molecules.
5. Be sure that you entered values for all 30 molecules. An equation of the form

   y = mx + b

   will be displayed on the spreadsheet. The equation you have derived is

   BP (K) = m ln(index) + b

   This allows you to predict the boiling point (in degrees Kelvin) of a molecule by simply computing its index. You have been instructed to test your equation with three molecules from the table. For each of the three molecules, compute the topological index, then using a calculator with natural logarithm, compute the predicted boiling point. Subtract 273 from the result to find the value in °C.
6. Calculate the % error in your predicted boiling point by doing the following computation:

   (BP_predicted - BP_table) / BP_table x 100%

   Repeat for each of the three known materials you were assigned.
7. Write a report with the following information:
   1. The name of the index you were assigned
   2. A list of the 30 molecule numbers you chose to use
   3. The equation you obtained from the spreadsheet
   4. The R² value found on the spreadsheet
   5. A table with the predicted boiling point and % error for the three trial molecules