Determining Formulae (OCR AS Chemistry A): Revision Note
Exam code: H032
Defining empirical & molecular formulae
Empirical formula is the simplest whole number ratio of the elements present in one molecule of the compound
Molecular formula shows the number and type of each atom in a molecule
For example, ethanoic acid:
Empirical formula = CH2O
Molecular formula = C2H4O2
Worked Example
Deducing molecular & empirical formulae
Deduce the molecular and empirical formula of the following compounds:

Answers:
Compound | Empirical formula | Molecular formula |
---|---|---|
1 | CH2Cl | C2H4Cl2 |
2 | C5H10O | C5H10O |
3 | C7H16 | C7H16 |
4 | C6H14O | C6H14O |
5 | C3H60 | C6H12O2 |
6 | C6H13Cl | C6H13Cl |
7 | C2H3 | C4H6 |
8 | C5H12O | C5H12O |
Calculating empirical & molecular formulae
Empirical formula
The empirical formula gives the simplest whole number ratio of the atoms in a compound
It can be calculated from:
The mass of each element in a compound, or
The percentage composition by mass of each element
Worked Example
Calculating empirical formula from mass
Determine the empirical formula of a compound that contains 2.72 g of carbon and 7.28 g of oxygen.
Answer:
Elements | Carbon | Oxygen |
---|---|---|
Mass of each element | 2.72 | 7.28 |
Atomic mass | 12.0 | 16.0 |
Moles = mass / Ar | = 0.227 | = 0.455 |
Ratio (divide by smallest value) | = 1 | = 2 |
So, the empirical formula is CO2
Worked Example
Calculating empirical formula from percentages
Determine the empirical formula of a hydrocarbon that contains 90.0% carbon and 10.0% hydrogen.
Answer:
Elements | Carbon | Hydrogen |
---|---|---|
Mass of each element | 90.0 | 10.0 |
Atomic mass | 12.0 | 1.0 |
Moles = mass / Ar | = 7.5 | = 10.0 |
Ratio (divide by smallest value) | = 1 | = 1.33 |
Convert to whole number ratio | 1 x 3 = 3 | 1.33 x 3 = 4 |
So, the empirical formula is C3H4
Molecular formula
The molecular formula shows the actual number of atoms of each element in a compound
To calculate it:
Find the relative mass of the empirical formula
Divide the compound’s relative molecular mass by the empirical formula mass
Multiply the number of each atom in the empirical formula by this ratio
Worked Example
Calculating molecular formula
The empirical formula of X is C4H10S and the relative molecular mass of X is 180.2
What is the molecular formula of X?
(Ar data: C = 12.0, H = 1.0, S = 32.1)
Answer:
Calculate relative mass of the empirical formula
Relative empirical mass = (C x 4) + (H x 10) + (S x 1)
Relative empirical mass = (12.0 x 4) + (1.0 x 10) + (32.1 x 1)
Relative empirical mass = 90.1
Divide relative molecular mass of X by relative empirical mass
Ratio between Mr of X and the Mr of the empirical formula = 180.2 / 90.1
Ratio between Mr of X and the Mr of the empirical formula = 2
Multiply each number of elements by the ratio
(C4 x 2) + (H10 x 2) + (S x 2)
(C8) + (H20) + (S2)
Molecular formula of X is C8H20S2
Worked Example
Calculating empirical formula and molecular formula
Analysis of a compound X shows that it contains 24.2 % by mass of carbon, 4.1 % by mass of hydrogen and 71.7% by mass of chlorine.
Calculate the empirical formula of X.
Use this empirical formula and the relative molecular mass of X (Mr = 99.0) to calculate the molecular formula of X.
Answer:
Answer 1:
Elements | Carbon | Hydrogen | Chlorine |
---|---|---|---|
Value for each element (g or %) | 24.2 | 4.1 | 71.7 |
Atomic mass | 12.0 | 1.0 | 35.5 |
Moles = mass / Ar | = 2.02 | = 4.1 | = 2.02 |
Ratio (divide by smallest value) | = 1 | = 2.03 | = 1 |
So, the empirical formula of compound X is CH2Cl
Answer 2:
Calculate relative mass of the empirical formula:
Relative empirical mass = (1 x C) + (2 x H) + (1 x Cl)
Relative empirical mass = (1 x 12.0) + (2 x 1.0) + (2 x 35.5)
Relative empirical mass = 49.5
Divide relative molecular mass of X by relative empirical mass
Ratio between Mr of X and the Mr of the empirical formula = 99.0/49.5
Ratio between Mr of X and the Mr of the empirical formula = 2
Multiply each number of elements by the ratio
(C4 x 2) + (H10 x 2) + (S x 2)
(C1 x 2) + (H2 x 2) + (Cl1 x 2) = (C2) + (H4) + (Cl2)
The molecular formula of X is C2H4Cl2
Hydrated salts & water of crystallisation
Concentration units
When hydrated salts are used to prepare solutions, their concentration may be expressed as:
mol dm⁻³ (moles per decimetre cubed)
g dm⁻³ (grams per decimetre cubed)
These units are commonly used in titration and solubility calculations involving hydrated salts
Hydration of salts
Water of crystallisation refers to water molecules that are chemically bound within a crystal structure
A compound that contains water of crystallisation is called a hydrated compound
The water of crystallisation is separated from the main formula by a dot when writing the chemical formula of hydrated compounds
For example, hydrated copper(II) sulfate can be:
CuSO4•5H2O
A compound which doesn’t contain water of crystallisation is called an anhydrous compound
For example, anhydrous copper(II) sulfate is just:
CuSO4
A compound can be hydrated to different degrees
For example, cobalt(II) chloride can be hydrated by six or two water molecules:
CoCl2•6H2O
CoCl2•2H2O
The conversion of hydrated to anhydrous compounds is reversible by heating:
Hydrated: CuSO4•5H2O ⇌ CuSO4 + 5H2O :Anhydrous
The degree of hydration can be calculated from experimental results:
The mass of the hydrated salt must be measured before heating
The salt is then heated until it reaches a constant mass
The two mass values can be used to calculate the number of moles of water in the hydrated salt - known as the water of crystallisation
Worked Example
Calculating water of crystallisation
10.0 g of hydrated copper sulfate are heated to a constant mass of 5.59 g.
Calculate the formula of the original hydrated copper sulfate.
(Mr data: CuSO4 = 159.6, H2O = 18.0)
Answer:
List the components | CuSO4 | H2O |
---|---|---|
Note the mass of each component | 5.59 g | 10 - 5.59 = 4.41 g |
Divide the component mass by the components Mr |
|
|
Divide by the lowest figure to obtain the ratio |
|
|
Hydrated salt formula | CuSO4•7H2O |
Examiner Tips and Tricks
Water of crystallisation calculations follow the same principles as empirical formula calculations:
Start with the masses of the anhydrous salt and water lost
Divide each mass by the Mr of the corresponding component to get moles
Divide by the smaller number to get a whole number ratio
Write the formula as: Salt•xH₂O, where x is the number of moles of water per mole of salt
This method gives the formula of the hydrated compound.
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