Determining Formulae (OCR AS Chemistry A): Revision Note

Exam code: H032

Richard Boole

Written by: Richard Boole

Reviewed by: Philippa Platt

Updated on

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:

Eight numbered chemical structures, including alkanes, alkenes, alcohols, chlorinated compounds, and ketones, displayed in a 2x4 grid.

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
(g)

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
(x3 for this example)

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:

    1. Find the relative mass of the empirical formula

    2. Divide the compound’s relative molecular mass by the empirical formula mass

    3. 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:

  1. 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

  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

  1. 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.

  1. Calculate the empirical formula of X.

  2. 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:

  1. 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

  2. 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

  3. 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

fraction numerator 5.59 over denominator 159.6 end fraction = 0.035

fraction numerator 4.41 over denominator 18.0 end fraction = 0.245

Divide by the lowest figure to obtain the ratio

fraction numerator 0.035 over denominator 0.035 end fraction= 1

fraction numerator 0.245 over denominator 0.035 end fraction= 7

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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Richard Boole

Author: Richard Boole

Expertise: Chemistry Content Creator

Richard has taught Chemistry for over 15 years as well as working as a science tutor, examiner, content creator and author. He wasn’t the greatest at exams and only discovered how to revise in his final year at university. That knowledge made him want to help students learn how to revise, challenge them to think about what they actually know and hopefully succeed; so here he is, happily, at SME.

Philippa Platt

Reviewer: Philippa Platt

Expertise: Chemistry Content Creator

Philippa has worked as a GCSE and A level chemistry teacher and tutor for over thirteen years. She studied chemistry and sport science at Loughborough University graduating in 2007 having also completed her PGCE in science. Throughout her time as a teacher she was incharge of a boarding house for five years and coached many teams in a variety of sports. When not producing resources with the chemistry team, Philippa enjoys being active outside with her young family and is a very keen gardener