Module 1

1. Structure and Formulae

1.3 Distinguish between empirical, molecular and structural formulae
1.4 Determine formulae from experimental data

Empirical and Molecular formulae

The empirical formulae is the simplest whole number ratio of the number of atoms of each
element in a compound.

While the molecular formulae shows the actual number of atoms of each element in the
compound.

The Structural formulae shows the arrangement of all the atoms in the compound.

For example

The molecular formula for ethane is C2H6 but its empirical formula would be CH3

Determining Empirical formula

The empirical formula of a compound can be determined from:

– The percentage mass of the elements in the compound

– Combustions data of the organic compound

Calculations

Using combustion data

• Combustion data is obtained by the burning of a known sample of the organic compound
in excess oxygen.

• Then the amounts of water, carbon dioxide, sulphur dioxide or nitrogen produced are
determined

• This method is called combustion analysis.

For example

0.23g of a compound X contains carbon, hydrogen and oxygen only, gave 0.44g of carbon
dioxide and 0.27g of water on complete combustion with oxygen.

What is its empirical formula?

• Determine the moles of carbon present

Mass of CO2 produced = 0.44g = 0.01 mol

Mass of 1 mole of CO2 44g/mol

Since every mole of CO2 contains 1mole of C, therefore the sample contained 0.01 mol
of C atoms
Mass of carbon in compound = 0.01mol x 12 g/mol = 0.12g
• Moles of hydrogen in the organic compound

Mass of H2O produced = 0.27g = 0.015mol

Mass of 1 mole H2O 18g/mol

As each mole of H2O contains 2 mol of H, the sample contained 0.03 mol of H atoms

Mass of hydrogen = 0.015 mol x 2g/mol = 0.03g

• Moles of oxygen in the organic compound

Mass of organic compound - (mass of carbon and hydrogen)

0.023g – (0.12g + 0.03g)= 0.08g

C H O

Given masses 0.12 0.015 0.08

No of moles 0.01 0.03 0.005

Ratio of moles 0.01 0.03 0.005

0.005 0.005 0.005

=2 =6 =1

Empirical formula = C2H6O