CALCULATIONS IN CHEMISTRY

THE AMOUNT OF EACH ELEMENT IN A COMPOUND

Remember: Relative atomic mass (Ar) of an element is the number of times an average atom of the
element is heavier than 1/12 of the mass of a carbon-12 atom.

Relative molecular mass (Mr ) of a compound is the sum of the relative atomic masses.



Molecular formula: -- shows the actual number of each atom in a molecule of the compound.

Empirical formula: -- gives the simplest whole number ratio of atoms in the molecule.

Study and complete this table:

Compound Molecular formula Empirical Formula

Ethane C2H6 CH3
Ethene C2H4 CH2
Hydrogen peroxide H2O2 HO
Water
Benzene C6H6
Ethanoic acid C2H4O2



Percentage mass of elements in compounds

It can be useful to calculate the mass ratio of elements in a compound- usually quoted as percentages.

Study and complete the table: (where necessary, give 1 decimal place in your answers)

Compound Mass of each Mass of each element as Mass of each element as %

element present fraction of total of total

Water, H2O 2 atoms H = 2 H = 2/18 H = (2/18 x100)% = 11.1%

1 atom O = 16
Total = 18 O = 16/18 O = (16/18 x 100)% = 88.9%

Calcium carbonate 1 atom Ca = 40 Ca = 40/100 Ca = (40/100 x 100)% = 40%

CaCO3 1 atom C = 12 C =12/100 C = (12/100 x 100)% = 12%
3 atom O = 48 O = 48/100 O = (48/100 x 100)% = 48%
Total = 100

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Compound Mass of each Mass of each element as Mass of each element as %
element present fraction of total of total

Carbon dioxide, CO2 1 atom C = C= C=

2 atoms O = O= O=

Ammonium nitrate N=
NH4NO3 H=
O=

Hydrated
copper(II) sulphate
CuSO4.5H2O

If the mass ratio of elements in a compound is known it is then possible to calculate the number ratio and
hence the empirical formula of the compound in question.
Study and complete the following:

Calculate the empirical formulas of the compounds from their percentage compositions:

Composition by mass Mass ratio Number ratio (mole ratio) Empirical formula

Mg 60% Ar = 24 Mg : O Mg : O = 60/24 : 40/16

O 40% Ar = 16 60 : 40 = 2.5 : 2.5
=1:1 MgO

Na 59% Ar = 23 Na : S Na : S = 59/23 : 41/32

S 41% Ar = 32 59 : 41 =2.56 : 1.28
divide by smallest, 1.28
Na : S = 2 : 1 Na2S

C 52.1% Ar = 12 C:H:O
H 13% Ar = 1 52.1 : 13.0 : 34.9
O 34.9% Ar= 16

N 26.2% Ar = 14
H 7.5% Ar =
Cl 66.3% Ar =

Fe 62.2% Ar =
O 35.6% Ar =
H 2.2% Ar =

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THE MOLE

In everyday life people do not always find it convenient to refer to just one item of a particular product. One
brick is not much use to a builder and so bricks are sold by the pallet (about one hundred bricks). During a
visit to a supermarket shoppers rarely by one egg; we think of eggs by the dozen (1 dozen = 12 ). In the
same way chemists are rarely interested in just one atom! Chemists think of substances by the mole.

In one mole of substance, the number of particles equals the Avogadro Constant. (L)

The Avogadro Constant is 6.02 x 1023 i.e. L = 602000000000000000000000.

How big is this number?! If you had 1 mole of dollars and you gave them away to your friends at the rate of
1 million dollars every second, how long would your money last?

(I) Just have a guess. ............................

(2) Calculate how long it would take to get rid of your money.

The Avogadro Constant is the number of atoms of carbon in exactly 12g of carbon-12.
i.e. 1 mole of carbon-12 has a mass of 12g.

When the number of grams of a substance equals its Ar or Mr, there are L particles of the
substance present.

Because a mole of substance always contains L particles, we must say what sort of particles we are thinking
about.
Study and complete the following by filling in the blanks.

1 mole of oxygen gas contains L oxygen molecules (O2), but there are (2 x L) oxygen atoms (O).
1 mole of ammonia gas contains L ammonia molecules (NH3), but there are (L) nitrogen atoms and
(3 x L) hydrogen atoms.
1 mole of water contains water molecules, but there are  hydrogen atoms and oxygen
atoms.
1 mole of H2SO4 molecules contains 6.02 x 1023 sulphur atoms, 2 x 6.02 x 1023  atoms and
 oxygen atoms.

1 mole of sodium chloride, NaCl contains 2 moles of ions.

1 mole of magnesium chloride, MgCl2 contains  moles of ions.

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 Molar measurements
The mass of a system
You now know that the amount of a system that contains L particles is one mole of that system and weighs
the appropriate Ar or Mr in grams. So given the mass of any pure substance we can calculate the number of
moles present using the following relationship:
number of moles = mass
molar mass

The molar mass is the mass of one mole of substance and has units g mol-1. It is numerically equal to the Ar
for an element and Mr for a compound.

Calculating the mass of one mole of substance

Substance Formula of Ar or Mr Molar mass

particle / g mol-1
Carbon C 12 12
Hydrogen gas H2 1+1=2 2
Benzene C6H6 (6 x 12) + (6 x 1) = 78 78
Sodium chloride NaCl 23 + 35.5 = 58.5 58.5
Calcium carbonate CaCO3 40 + 12 + (3 x 16) = 100 100

Converting masses of substances to moles

Examples: How many moles of substance are present in each of the following?

Q (a) 60g of silicon (IV) oxide, SiO2?

(b) 43g of hexane, C6H14?

A (a) Mr(SiO2) = 28 + (2 x 16) = 60

moles of SiO2 = 60/60 = 1 mole

(b) Mr(C6H14) = (6 x 12) + (14 x 1) = 86

moles of hexane = 43/86 = 0.5 moles

Exercise: Express the following masses of substance as mole quantities.

(a) 150g arsenic, Ar(As) = 75 (b) 4g calcium, Ar(Ca) = 40

(c) 15g sulphur trioxide, (d) 64g of oxygen gas

(e) 64g of copper (f) 64g of magnesium oxide

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Converting mole quantities to masses in grams

Examples:

Q What is the mass of:

(a) 1 mole of mercury atoms, Hg
(b) 2.5 moles of methane, CH4
(c) 0.2 moles of ‘Freon’, CCl2F2?

A (a) Ar(Hg) = 200 (b) Mr(CH4) = 16

mass Hg = 200g mass CH4 = 16 x 2.5 = 40g

(c) Mr(CCl2F2) = 120

mass = 120 x 0.2 = 24g

Exercise: What would be the mass, in grams, of the following amounts of material?

(a) 0.1 moles of sulphur molecules, S8 (b) 10 moles of sulphuric acid, Mr(H2SO4) = 98

(c) 0.01 moles of titanium dioxide (d) 0.05 moles of Buckminsterfullerene, C60

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The volume of a gas
In 1811 the Italian Avogadro discovered a very important property of gases. He stated it in a law which
became known as Avogadro’s Law or Avogadro’s Hypothesis. It is given below:

“Equal volumes of all gases contain equal numbers of molecules

under the same conditions of temperature and pressure.”

At room temperature (25oC) and pressure (1 atmosphere) one mole of any gas occupies 24 dm3.
i.e. at r.t.p. the molar volume of a gas is 24 dm3 or 24,000 cm3
(1dm3 = 1 litre = 1000cm3)

So moles = volume
molar volume

So by measuring the volume of a gas at r.t.p. we can calculate the number of moles present.

Example: How many moles are present in the following volumes of gases at r.t.p?
Q (a) 48 dm3 of oxygen
(b) 120 cm3 of chlorine

A (a) 24 dm3 is 1 mole (b) 24000 cm3 is 1 mole

 1 dm3 is 1/24 mole  1 cm3 is 1/24000 moles
 48 dm3 is (1/24 x 48) moles  120 cm3 is (1/24000 x 120)
= 2 moles = 0.005 moles

Calculate the volume at r.t.p occupied by:

Q (a) 10 g of hydrogen, H2 (b) 22 g of carbon dioxide

A 1 mole occupies 24dm3 1 mole occupies 24 dm3

Mr(H2) = 2 Mr(CO2) = 12 + (2 x 16) = 44
moles of H2 = 10/2 = 5 moles moles of CO2 = 22/44 = 0.5 moles
 volume of H2 = 5 x 24 = 120 dm3  volume of CO2 = 0.5 x 24 = 12 dm3

Exercise: Calculate the number of moles in the following gases all measured at room temperature and
pressure:
(a) 60 dm3 of xenon (b) 480 cm3 of fluorine

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Using Solutions
A great deal of work can be done using solutions of known concentration. It is relatively easy and quick to
measure volumes and, in solution, particles move freely and react more rapidly than solids.

The concentration of a solution is most usefully expressed as the number of moles in each cubic decimetre
i.e. mol/dm3 or mol dm-3. (1 dm3 = 1000 cm3).

A solution which contains 1 mole of substance per dm3 is referred to as a molar solution (M).

To calculate the concentration or molarity of a solution the following formula is used:

Conc. in mol dm-3 = conc. in grams dm-3

Mr
Hence

Conc. in grams dm-3 = conc. in mol dm-3 x Mr

When the volume of a solution of known concentration is measured (using, say, a measuring cylinder,
pipette, or burette) the number of moles of substance used can be calculated as follows:

Number of moles = conc. in mol dm-3 x volume in cm3

1000

Example:
(a) Calculate the concentration in mol dm-3 of a solution containing 4.0 g of NaOH in 100 cm3.

Mr (NaOH) = 23 + 16 + 1 = 40
moles NaOH = 4.0 = 0.1 moles
40
solution contains 0.1 moles in 100 cm3
 conc. = 1 mol dm-3

(b) Calculate the concentration in g dm-3 of a solution containing 0.2 mol of AgNO3 per dm3.

Mr (AgNO3) = 108 + 14 + (3 X 16) = 170

 conc. = 170 X 0.2 = 34 g dm-3

Exercise:
1. Calculate the concentration in mol dm-3 of the following solutions
(i) 10.6 g of Na2CO3 in 1 dm3 (ii) 0.63 g of HNO3 in 250 cm3

2. Calculate the concentration in g dm-3 of the following solutions

(i) 0.15 M KOH (ii) 10-3 M HCl(aq)
(iii) a solution containing 0.03 mol of H2SO4 in 200 cm3.

3. Calculate the number of moles present in (i) 100 cm3 of 0.2 M H2SO4
(ii) 25 cm3 of 1.5 M NaOH (iii) 2 dm3 of 0.1 M CuSO4

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Calculations involving equations and empirical formulas
Examples:

1. Calculate the mass of carbon that reacts with 80 g of copper(II) oxide, in the reaction:
2CuO + C  2Cu + CO2

2. Calculate the mass of copper that is produced from the 8.0 g of copper(II) oxide, in example 1.

3. Calcium metal reacts with water to give an insoluble suspension of calcium hydroxide. Hydrogen
gas is also produced. Calculate the mass of hydrogen produced from 10 g of calcium.

4. Calculate the volume of carbon dioxide (at r.t.p.) produced from 10 g of calcium carbonate, in the
reaction CaCO3  CaO + CO2

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5. What volume of 0.2 M nitric acid would be required to just react with 5 g of calcium carbonate?

6. In a titration, 25.0 cm3 of sulphuric acid of concentration 0.120 M neutralised 23.0 cm3 of
potassium hydroxide solution. Find the concentration of the potassium hydroxide solution.

7. The empirical formula of a compound is CH. The molar mass is 78 g mol-1. What is the molecular
formula of the compound?

8. 4.00 g of mercury form 4.64 g of a mercury sulphide. Calculate the empirical formula of the
compound.

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Now a chance to practice the MOLE ideas:

Practice Exercise: (it is important that you can do these … see me for help if needed)

1. Mercury(II) oxide, HgO, decomposes to give mercury and oxygen when heated . What
mass of mercury is obtained from 54 g of mercury(II) oxide?

2. What volume of hydrogen is formed when 6.0 g of magnesium react with an excess of
sulphuric acid? The equation is: Mg(s) + H2SO4(aq)  H2(g) + MgSO4(aq).

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3. 18.5 cm3 of hydrochloric acid neutralise 25.0 cm3 of a 0.100 M solution of sodium
hydroxide. Calculate the concentration of the acid.

4. Vitamin C has the empirical formula C3H4O3, and a molar mass of 176 g mol-1. What is
it’s molecular formula.

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5. 0.62 g of phosphorous form 1.10 g of a phosphorous chloride. Find its empirical
formula.

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