CHEMICAL CALCULATION

Nabill, RSJB
 CONTENTS

The mole concept and Avogadro’s Constant

The mole calculation

Chemical reaction calculation

Empirical and molecular formulae calculation

Percentage yield and purity

THE MOLE CONCEPT
& AVOGADRO’S
CONSTANT
INTRODUCTION

• In chemistry experiment, it is impossible to

weigh out a single atom and then react it with
another atom

• It simply because atoms are too small

• A useful and practical ‘counting unit’ is needed

THE MOLE CONCEPTS

• In daily life, unit such as pair or dozen is used to represent

the number of any object (shoes or eggs)

• Chemist used this idea of unit to represent the number of

atoms, particles or molecules in a substance

• The unit ‘moles’ is used (with symbol mol)

• One mole of any substances contain the same number of

atoms, particles or molecules
THE AVOGADRO’S CONSTANT

• Number of atoms, particles or molecules in 1 mole of

substances is 6.022 x 1023

• This value is known as Avogadro’s constant, L also known as

Avogadro’s number, NA

• It is named after an Italian chemist, Lorenzo Romano Amedeo

Carlo Avogadro
TEST YOUR UNDERSTANDING

1. How many atoms are there in 0.2

moles of magnesium, Mg?

2. A sample of zinc chloride contain

3.01 x 1024 unit of ZnCl2. Calculate
the number of mole of ZnCl2 present
in the sample.
MASS OF SUBSTANCES

• Chemist face a problem to deal with huge number of

small atoms, particles and molecules in a substance

• Instead of counting each number of atoms, particles and

molecules in a substance, chemist weighing them to get
the mass

• The mass of 1 mole of a substance is equal to its own

molar mass
THE MOLE
CALCULATION
THE MOLE BRIDGE IN CALCULATION

• The concepts of moles is used to find the

substances: Mass
• Mass
• Volume
• Concentration
No. of
Conc. Mole
• This concept provide link between mass, particle
volume or concentration of a substance
and the number of atom present
• The mole is the central, connecting
between mass, particle number, volume and
concentration of any substances Volume
MOLE CALCULATION WITH MASS

• The mole of a substance can be determine using a

mathematical equation:

Mass, M
Number of moles, n = Molar mass, Mr

where, mass in grams and molar mass in grams per mole

• This mathematical equation can be rearranged, so any one of

the value can be calculated (with two values are known)
MOLE CALCULATION 1

How many moles are there in 60 g of sodium hydroxide?

Step 1: Data extraction

Step 3: Calculate the question
• Given the mass of NaOH = 60 g
Mass, M
Number of moles, n =
Molar mass, Mr

Step 2: Calculate the molar mass, Mr 60 g

• Mole of NaOH = = 1.5 mol
40 g mol–1
• Mr of NaOH = 23 + 16 + 1 = 40 g mol–1
MOLE CALCULATION 2

What is the mass of 0.5 mol of hydrated copper (II) sulfate crystal?

Step 1: Data extraction Step 3: Calculate the question

• Given the mol of CuSO4 · 5H2O = 0.5 mol Mass = number of moles x molar mass

• Mass of CuSO4 · 5H2O = 0.5 x 250 =125 g

Step 2: Calculate the molar mass, Mr

• Mr of CuSO4 · 5H2O = 64 + 32 + (4 x 16) + (5 x 2 x 1) + (5 x 16)

• Mr of CuSO4 · 5H2O = 250 g mol–1

TEST YOUR UNDERSTANDING

1. 0.25 mol of water has a mass of 4.5 g.

What is the molar mass of water?

2. How many moles are there in 12.75 g

of aluminium oxide?

Ar: H = 1; O = 16; Al = 27
MOLE CALCULATION WITH VOLUME (GAS)

• Weighing a gas is quite difficult, hence measuring the

volume is much easier

• Based on Avogadro’s law:

• 1 mole of any gas has a volume of 24 dm3 at

• The mole can be calculated using the equation:
room temperature and pressure (r.t.p.)
Volume, V
• Molar volume of any gas is 24 dm3 mol–1 at r.t.p. Number of moles, n = Molar volume, Vr

• 1 dm3 (1 liter) equal to 1000 cm3 where, volume in dm3 and molar volume is 24 dm3 mol–1
MOLE GAS CALCULATION

How many moles are there in 12 dm3 (r.t.p.) of bromine gas?

Step 1: Data extraction Step 2: Calculate the question

• Given the volume of Br2 = 12 dm3 Volume, V

number of moles, n =
Molar volume, Vr

12 dm3
• Mole of Br2 = = 0.5 mol
24 dm3 mol–1
MOLE GAS CALCULATION

What is the volume of 0.25 mol of nitrogen dioxide at r.t.p.?

Step 1: Data extraction Step 2: Calculate the question

• Given the mole of NO2 = 0.25 mol Volume,V = number of moles, n x molar volume, Vr

• Volume of NO2 = 0.25 x 24 = 6 dm3

TEST YOUR UNDERSTANDING

1. Calculate the volume of gas present

in 22 g of carbon dioxide at r.t.p.

2. Calculate the mass of a sample of

nitrogen gas with a volume of 36 dm3
at r.t.p
SOLUTION QUESTION 1

Calculate the volume of gas present in 22 g of carbon dioxide at r.t.p.

Step 1: Data extraction Step 3: Calculate the question

• Given mass of CO2 = 22 g Volume = moles x molar volume

• Volume of CO2 = 0.5 x 24 = 12 dm3

Step 2: Calculate the mole

22
• Mole of CO2 = = 0.5 mol
(12 + (2 x 16)
 SOLUTION QUESTION 2

Calculate the mass of a sample of nitrogen gas with a volume of 36 dm3 at r.t.p.

Step 1: Data extraction Step 3: Calculate the question

• Given the volume of N2 = 36 dm3 Mass = moles x molar mass

• Mass of N2 = 1.5 x (2 x 14) = 42 g

Step 2: Calculate the mole

36
• Mole of N2 = = 1.5 mol
24
MOLE CALCULATION WITH CONCENTRATION OF SOLUTION

• Solution is formed by dissolving solute in a solvent • The mole can be calculated using the equation:
• The ‘quantity’ of solute can be measure either by Number of moles, n = concentration, C x volume, V
mass (grams) or amount (moles)

• These give 2 quantity units:

• Mass concentration (g dm–3)

• Molar concentration (mol dm–3)

• 1 dm3 (1 liter) equal to 1000 cm3

ACID–BASE TITRATION

• The concentration of an unknown acid solution can be

determined by reacting with standard alkali solution
• This process is called titration
• A standard solution is a solution where the concentration is
known precisely
• Accurate measurement are made using pipette and burette
• The end-point (neutralization) detected using indicator – colour
changes
• Titration can also be used to prepare soluble salt
MOLE SOLUTION CALCULATION

Calculate the concentration of a solution of sodium hydroxide that contain 10 g of NaOH in a final volume of 250 cm3.

Step 1: Data extraction Step 3: Calculate the question

• Given the mass of NaOH = 10 g Number of mole, n

Concentration of solution, C = Volume, V

0.25 mol
Step 2: Calculation of mole • Concentration of NaOH = = 1 mol dm–3
0.25 dm 3

NOTES
10
• Mole of NaOH = = 0.25 mol
23 + 16 +1 Concentration must be in dm3, hence cm3 convert to dm3 =
250
1000
MOLE SOLUTION CALCULATION

Find the molar concentration of a solution of 14.3 g of hydrated sodium carbonate in 500 cm3 of distilled water.

Step 1: Data extraction Step 3: Calculate the question

• Given the mass of Na2CO3 · 10H2O = 14.3 g Number of mole, n

Molar concentration, C = Volume, V

0.05 mol
Step 2: Calculation of mole • C of Na2CO3· 10H2O = = 0.1 mol dm–3
0.5 dm 3

NOTES
14.3
• Mole of Na2CO3· 10H2O = = 0.05 mol
286 Concentration must be in dm3, hence cm3 convert to dm3 =
500
1000
PRACTICE

1. Define the mole.

2. Calculate the number of moles of sodium

hydroxide in 16.0 g of sodium hydroxide.

3. A sample of sodium chloride solution

contains 58.5 g of sodium chloride.
Calculate the concentration of solution in
2000 cm3 water.
CHEMICAL
REACTION
CALCULATION
LAW OF MASS CONSERVATION

• The mass of product is equal to the total mass of CaCO3 → CaO + CO2

reactant
1 mol 1 mol 1 mol
• This give rise the balance chemical equation
40 + 12 + 3(16) 40 + 16 12 + 2(16)
• This chemical equation is used to show the reaction
= 100 g = 56 g = 44 g
between reactant and product produced
100 g → 56 g + 44 g
• Thermal decomposition of calcium carbonate
(limestone) 25 : 14 : 11
THE FOOTBRIDGE IN CHEMICAL REACTION CALCULATION

• The concepts of moles is used to find the reactant’s or product’s:

• Mass
• Volume
• Concentration
• Balance chemical equation needed as a numerical footbridge between two sides of reaction

Mass, volume, Mole of Mole of Mass, volume,

concentration
reactant Ratio from equation product
concentration
of reactant of product
CHEMICAL REACTION CALCULATION

What mass of aluminium oxide is produced when 9.2 g of aluminium metal reacts completely with oxygen gas?

Step 1: Calculate the mole Step 2: Construct a mole ratio Step 3: Calculate the question

9.2 g 4Al(s) + 3O2(g) → 2Al2O3(s) Mass = moles x molar mass

• Mole of Al =
27 g mol–1
• 4 Al produce 2 Al2O3 • Mass of Al2O3 = 0.17 x [ 2(27) + 3(16) ]
• Mole of Al = 0.34 mol
• The ratio is 2 : 1 • Mass of Al2O3 = 0.17 x 102 = 17.34 g

• 0.34 mol of Al = 0.17 mol of Al2O3

CHEMICAL REACTION CALCULATION

If 8 g of sulfur are burnt, what volume of SO2 is produced?

Step 1: Calculate the mole Step 2: Construct a mole ratio Step 3: Calculate the question

8g S(s) + O2(g) → SO2(g) Volume = moles x molar volume

• Mole of S =
32 g mol–1
• 1 S produce 1 SO2 (1: 1 ratio) • Volume of SO2 = 0.25 x 24 = 6 dm3
• Mole of S = 0.25 mol
• 0.25 mol of S = 0.25 mol of SO2
CHEMICAL REACTION CALCULATION

In acid-base titration, it is found that 20.0 cm3 of acid neutralise 25 cm3 of 0.1 mol dm–3 NaOH solution. What is the
concentration of the hydrochloric acid solution?

Step 1: Calculate the mole Step 2: Construct a mole ratio Step 3: Calculate the question

25 HCl + NaOH → NaCl + H2O Number of mole, n

• Mole of NaOH = 0.1 x Concentration, C =
1000 Volume, V
• 1 NaOH neutralise 1 HCl
• Mole of NaOH = 0.0025 mol 0.0025
• The ratio is 1 : 1 • C of HCl = = 0.125 mol dm–3
0.02

• Mole of HCl = 0.0025 mol

LIMITING REACTANTS AND EXCESS REACTANTS

• In a reaction: • Limiting reactants can be determine by:

• some reactants will be left over or not • Identify the mole of each reactant involved
completely used (excess reactants)
• Divide by the coefficient in the balanced chemical
• Some reactants is completely used (limiting equation
reactants)
• Smallest number indicates the limiting
• A reaction will stop when limiting reactant is used reactants
up
LIMITING REACTANTS CALCULATION

9.2 g of aluminium metal reacts completely with 0.53 mol of oxygen gas. Show that aluminium is a limiting reactant.

Step 1: Calculate the mole Step 2: Divide mole with coefficient Step 3: Identify the limiting reactant

4Al(s) + 3O2(g) → 2Al2O3(s) • Al is the limiting reactant

9.2 g
• Mole of Al =
27 g mol–1
• 4 Al reacts with 3 O2 • O2 is excess reactant
• Mole of Al = 0.34 mol
0.34
• Mole of Al = = 0.085
4

0.53
• Mole of O2 = = 0.177
3
LIMITING REACTANTS CALCULATION

6.0 g of cobalt (II) carbonate was reacted with 0.08 mol of hydrochloric acid to produce cobalt (II) chloride. Show that
cobalt (II) carbonate was in excess?

Step 1: Calculate the mole Step 2: Divide mole with coefficient Step 3: Identify the limiting reactant

6.0 CoCO3 + 2HCl → CoCl2 + H2O + CO2 • HCl is the limiting reactant
• Mole of CoCO3 =
119
• 1 CoCO3 reacts with 2 HCl • CoCO3 is excess reactant
• Mole of CoCO3 = 0.05 mol
0.05
• Mole of CoCO3 = 1 = 0.05

0.08
• Mole of HCl = = 0.04
2
 PRACTICE

1. What mass of oxygen combines with 32 g of

methane when that gas is burnt completely in air?
2. 25.0 cm3 of sulfuric acid solution of concentration
0.2 mol dm–3 reacted with 10.0 cm3 of sodium
hydroxide. Calculate the concentration of NaOH.
3. 6.0 g of magnesium is reacted with a hydrochloric
acid solution that contains 5.48 g of acid. Which of
the reactants is the limiting reagent?
EMPIRICAL &
MOLECULAR
FORMULAE
CALCULATION
EMPIRICAL FORMULAE

Mass %
• Empirical formulae is the simplest whole–number ratio of atoms in
a compound
Mass in
• The mole as a footbridge (link) in chemical reaction between gram
reactants and products

• The law of mass conservation, mass of products must be equal The mole
with mass of reactants

• To determine the empirical formula of a compound, ratio is required

The ratio
EMPIRICAL FORMULA CALCULATION

If 0.24 g of magnesium is burnt, then 0.40 g of magnesium oxide is formed. Determine the empirical formula of
magnesium oxide.

Equation magnesium + oxygen → magnesium oxide

Mass 0.24 g ? 0.40 g

0.40 – 0.24 = 0.16 g

Mole 0.24 g 0.16 g

= = 0.01 = = 0.01
24 g mol–1 16 g mol–1

Ratio 1 1

Formula Mg O MgO
EMPIRICAL FORMULA CALCULATION

A sample of silicon (IV) oxide is found to contain 47% by mass of silicon. Fine its empirical formula.

Equation silicon + oxygen → silicon (IV) oxide

Percentage 47% 100 – 47 = 53% 100%

Mass 47 g 53 g

Mole 47 g 53 g
= = 1.68 = = 3.31
28 g mol–1 16 g mol–1

Ratio 1 2

Formula Si O SiO2
MOLECULAR FORMULA CALCULATION

Phosphorus burn in air to produce white clouds of phosphorous oxide. It is found that the oxide contains 44%
phosphorus.

Equation phosphorus + oxygen → phosphorus oxide

Percentage 44% 100 – 44 = 56% 100%

Mass 44 g 56 g Actual Mr = 284

44 g 56 g Mr of P2O5 = 142
Mole = = 1.4 = = 3.5
31 g mol–1 16 g mol–1
284
= 142 = 2
Ratio 1x2=2 2.5 x 2 = 5

Formula P O P2O5 (P2O5)2 OR P4O10

SUMMARY IN CALCULATING FORMULAE

• Empirical formulae is the simplest whole number

ratio of compound

• Simple molecular compounds, the empirical formulae is

not the actual molecular formula

• The molecular formula must be calculated using the

relative molecular mass of the compound (found by
experiment)
 PRACTICE

1. If 5.0 g of hydrated copper (II) sulfate crystal are heated to

drive off water of crystallisation, the remaining solid has mass
of 3.2 g. Calculate the ratio of salt of the crystal.
2. A laboratory analysis of a sample showed that 15.15 g of
chalcopyrite had the mass composition of 5.27 g of copper
and 4.61 g of iron. Sulfur is the only other element present.
Calculate the empirical formula of chalcopyrite.
3. A sample of antifreeze has composition of 38.7% carbon,
9.7% nitrogen, 51.6% oxygen.
a. Calculate its empirical formula
b. The Mr of the compound is 60, what its molecular
formula?
PERCENTAGE YIELD
& PURITY
YIELD AND PURITY

Total amount of product in a reaction may not

always same with the prediction. This loss may be • In reality, a lower yield is often produced
due to:
• This can be express as percentage yield
• Reaction is not totally complete
• In more complex reaction, the materials content
• Error in weighing reactants or products can represent by percentage purity

• Material may be transferring or separating • Both percentage is calculated in a similar way

during the reaction
PERCENTAGE YIELD CALCULATION

Heating 12.4 g of copper (II) carbonate in a crucible produced only 7.0 g of copper (II) oxide. What was the percentage
yield of copper (II) oxide?

CuCO3 → CuO + CO2

Obtained amount
1 mol 1 mol 1 mol Percentage yield = Actual amount x 100%

64 + 12 + 3(16) 64 + 16 7.0
Percentage yield = x 100% = 87.5%
8.0
124 g → 80 g + 44 g
Percentage yield = 87.5%
Therefore, heating 12.4 g of CuCO3 should
produce 8.0 g of CuO
PERCENTAGE PURITY CALCULATION

A sample of 10.15 g of the crude copper is analysed by various method and shown to contain of 9.95 g of copper. What
is the purity of copper in that sample ?

Pure product
Percentage purity = Impure product x 100%

9.95
Percentage purity = x 100% = 98.03%
10.15

Percentage purity = 98.03%

TEST YOUR UNDERSTANDING

1. A student reacts 4.5 g of aluminium

powder with chlorine gas. 17.8 g of
aluminium chloride are produced.
Calculate the percentage yield of this
reaction.
CHEMICAL REACTION CALCULATION

A student reacts 4.5 g of aluminium powder with chlorine gas. 17.8 g of aluminium chloride are produced. Calculate the
percentage yield of this reaction.

Step 1: Calculate the mole Step 2: Mole ratio and mass Step 3: Calculate the percentage

2Al(s) + 3Cl2(g) →2AlCl3(s) yield

4.5
• Mole of Al = = 0.167 mol
27
• 2 Al produced 2 AlCl3 - ratio is 2 : 2 Obtained amount
• % yield = Actual amount x 100%
• Mole of AlCl3 = 0.167 mol
17.8
• % yield = x 100% = 79.86%
• Mass of AlCl3 = 0.167 x (27 + 3(35.5)) 22.29

• Mass of AlCl3 = 22.29 g

PERCENTAGE COMPOSITION

Na2SO4

• The relative molecular mass (Mr) is used to calculate

the mole of compounds

• Mr is also provides important information about the

composition of compound

• The percentage composition can be calculated using

relative molecular mass

Na S O
PERCENTAGE COMPOSITION CALCULATION

The formula of ammonium nitrate is NH4NO3. What percentage of the mass of the compound is nitrogen?

Step 1: Calculate the molecular mass Step 2: Identify mass of atom in the compound

• Mr of NH4 = 14 + 4(1) = 18 • 2 N is found in NH4NO3

• Mr of NO3 = 14 + 3(16) = 62 • Mass of N in NH4NO3 = 2(14) = 28

• Mr of NH4NO3 = 80
Step 3: Find the percentage

28
• % composition of N = 80 x 100% = 35%
PERCENTAGE COMPOSITION CALCULATION

What is the percentage mass of water in crystal of hydrated magnesium sulfate, MgSO4· 7H2O?

Step 1: Calculate the molecular mass Step 2: Identify mass of atom in the compound

• Mr of MgSO4 = 24 + 32 + 4(16) = 120 • 7 H2O is found in MgSO4· 7H2O

• Mr of H2O = 7(2(1) + 16) = 126 • Mass of H2O in MgSO4· 7H2O = 7(18) = 126

• Mr of MgSO4· 7H2O = 246

Step 3: Find the percentage

126
• % composition of H2O = x 100% = 51.2%
246
PRACTICE

1. Explain the different between the percentage

yield of a product from a reaction and its
percentage purity.

2. Calculate the percentage by mass of nitrogen in

the following fertilisers and nitrogen-containing
compounds:

a. Ammonium phosphate, (NH4)3PO4

b. Glycine, CH2(NH2)COOH
THANK YOU