Calculations in IB Chemistry SL and HL

Below is a list of the calculations are expected to be able to do in IB chemistry. This needs
committing to memory, and each type of calculation will need practice to master. Good luck!

Calculations shaded in grey are only required at HL.

Quantitative Chemistry
Purpose The Calculation Notes
1. Calculating a N When calculating numbers of
n=
quantity in moles L atoms within molecules,
from a number of multiply the number of
particles particles (N) by the number of
n = the quantity in moles atoms in the formula
N = the number of particles To find out numbers of
L = Avogadros constant,
particles, rearrange to: N = n.L
6.02x1023
2. Determine M r= (number of atoms . atomic mass) Mr has no unit as it is a relative
relative molecular or value
formula mass, Mr To calculate molar mass, Mm,
just stick a g for grams on the
end
3. Calculate a m To determine the mass of a
n=
quantity in moles, Mm given number of moles of a
from a mass of a substance use:
substance m=M m . n
n = the quantity in moles
m = the mass of substance you To determine the molar mass
are given in grams of a given mass of a substance:
Mm = the molar mass of the m
substance M m=
n
4. Determine 1. Divide each % by the atomic mass
empirical formula 2. Divide each answer to Step 1 by the smallest answer to Step 1
from % composition 3. Multiply all answers to Step 1 to remove any obvious fractions
by mass a. If there is a .5 multiply everything by 2
b. If there is a .3 multiply everything by 3 etc
5. Determine Mr This and the previous
molecular formula Fm = . Fe
m(F e ) calculation are often combined
from empirical together in exam questions
formula
Fm = molecular formula
Mr = relative molecular mass
Fe = empirical formula
m(Fe) = empirical formula mass
6. Use mole ratios to number of Bequation The second term in this
n ( B )=n ( A ) .
determine the number of A equation equation is the mole ratio
number of moles of You must use a fully balanced
B that can be made equation
from A This is the central step in many
stoichiometry calculations
 Purpose The Calculation Notes
7. Calculate 1. Use Calculation 6 to
theoretical yield determine the expected
quantity of product in moles
2. Use a rearranged Calculation
3 to determine the expected
mass.
8. Determine Divide moles of each reactant by You would often then need to
limiting and excess their coefficient in the balanced combine this with Calculation 6
reactants equation to determine a quantity of
a. Smallest value product (in moles).
limiting
b. Largest value excess
9. Calculating actual yield Actual and theoretical yield
Yield= .100
percentage yield. theoretical yield must have the same units.
You might sometimes be
required to rearrange this
equation, or use it to work
backwards from this to find the
amount of reactant you started
with.
10. Apply V1 V2 Only applies when temperature
Avogadros Law to = and pressure remain constant.
n 1 n2
calculate reacting Units of V do not matter. But
volumes of gases must be the same.
V1 = the initial volume of gas This is really a special case of
n1 = the initial quantity of gas in the Ideal Gas Law where the
moles pressure, temperature and gas
V2 = the final volume of gas constant terms cancel each
n2 = the final volume of gas in other out.
moles

11. Calculate molar V Only applies at standard

n=
quantities of gases 22.4 conditions:
at standard o 273 K (0oC)
temperature and o 101,000 Pa (1.00 atm)
pressure n = quantity in moles If volume of gas is given in m3,
V = the volume of gas in dm3
use 2.24x10-5 as your molar
22.4 is the molar volume of an
volume.
ideal gas at 273K and 101,000 Pa
Molar volumes are given in the
data booklet and do not need
memorising.
12. The ideal gas PV =nRT In practice, you can often use:
equation o V in units of dm3
o Pa in units of kPa
P = pressure in Pa
You will need to be comfortable
V = volume of gas in m3
rearranging this equation to
n = quantity of gas in moles
change the subject.
R = the gas constant, 8.31
This takes time to use, so only
T = temperature in Kelvin (OC +
use it in non-standard
273)
conditions, or when the laws in
Calculation 13 would not be
quicker.
 Purpose The Calculation Notes
13. Relationship Charles Law, at fixed pressure: These only work where the
between V1 V2 quantity in moles remains
temperature, = fixed.
T 1 T2
pressure and volume All of these are just special
cases of the ideal gas law,
Gay-Lussacs Law, at fixed where the remaining terms just
volume: cancel each other out.
P1 P2
=
T1 T 2

Boyles Law, at fixed

temperature:
P1 V 1=P 2 V 2

V1 and V2 are initial and final

volume
P1 and P2 are initial and final
pressure
T1 and T2 are initial and final
temperature

14. Molar n Units are pronounced moles

c=
Concentration V per decimetre cubed
You need to be able to use any
rearrangement of this equation
c = concentration in mol dm-3
n = the quantity in moles
V = the volume in dm3 (litres)
15. Concentration m Units are pronounced grams
c=
by mass V per decimetre cubed
You need to be able to use any
rearrangement of this equation
c = concentration in g dm-3
Generally, if you have a
m = the quantity in grams
concentration like this, you
V = the volume in dm3 (litres)
should convert it into a molar
concentration before
proceeding.

Atomic Structure
Purpose The Calculation Notes
16. Determine abundance % abundance may be given in
atomic mass .
relative atomic mass 100 the question, or you may need
from % abundance () to read it from a mass
data A r = spectrum
If you convert the percentages
to decimals (i.e. 0.8 for 80%,
0.25 for 25%), there is no need
Ar = relative atomic mass to divide by 100.
 Purpose The Calculation Notes
17. Determine % If there are two isotopes, label Ar, Ia and Ib will be provided in
abundance from one of them a and one b. the question, so you can plug
relative atomic mass the numbers in, and then
Now: rearrange to find x.
To find y, simply do y=100-x
xI + yI b If you have three isotopes, you
Ar= a
x+ y must know the abundance of
at least one in order to find the
other two. You would also need
Ar = relative atomic mass to subtract the abundance of
Ia = the mass of isotope a this one from the 100, before
Ib = the abundance of isotope b doing the rest of the sum.
x and y is the abundance of each
isotope

However, since x+y = 100%, y =

100-x so:

xI a +(100x )I b
Ar=
100

Periodicity and Bonding

Purpose The Calculation Notes
No calculations. Huzzah!

Energetics
Purpose The Calculation Notes
18. Calculating the q=mc T Be careful of the units of
heat change of a massyou may need to
pure substance convert kg into g
q = the heat change in Joules
Be careful of the units for
m = the mass of substance in
specific heat capacity, if it is J
grams
K-1 kg-1 you will need to convert
c = specific heat capacity in J K-1
your mass into kg.
g-1
T = temperature rise in K or OC
19. Calculating an H=mc T The minus sign is needed to
enthalpy change ensure that an exothermic
from experimental reaction has a negative
data H = the enthalpy change in
enthalpy change.
Joules
Units are J or kJ mol-1
m = the mass of solution in
The mass of solution is
grams
assumed to be the same as its
c = specific heat capacity
volume in cm3.
of water: 4.18 J K-1 g-1
T = temperature rise in K or OC The specific heat capacity of
the reactants is ignored.
 Purpose The Calculation Notes
20. Calculating Hr Once you have produced you See the Energetics PowerPoint
using a Hess cycle Hess cycle: for advice on constructing Hess
1. Write the relevant H onto cycles.
each arrow
2. Multiply each H in
accordance with the
stoichiometry
3. To do your sum, add when
you go with an arrow, and
subtract when you go
against one.
21. Calculating Hr Method 1: Make a Hess cycle, It is more reliable to use Hess
from average bond then do as in Calculation 20. cycles and you can easily
enthalpies forget whether it is reactants
Method 2: products or vice versa.
H r = ( reactant bonds ) ( product bonds)
Average bond enthalpies can
be found in Table 10 of the
data booklet.
You only need to worry about
the bonds that broken and
made. If a bond, for example a
C-H is present at the start and
finish, you can ignore it.this
can save time in exams.
22. Calculating Hr Method 1: Make a Hess cycle, It is more reliable to use Hess
from enthalpies of then do as in Calculation 20. cycles and you can easily
formation forget whether it is products
Method 2: reactants or vice versa.
products Hof for elements in their
reactants standard states is zero.
H of () Hof values for many
H f ()
o compounds can be found in
Table 11 of the data booklet.
H r=
In some questions, you may
also need to take a state
Hr = enthalpy change of change into account, if
reaction standard states are not used.
o
H f = enthalpy change of
formation
 Purpose The Calculation Notes
23. Calculating Hr Method 1: Make a Hess cycle, It is more reliable to use Hess
from enthalpies of then do as in Calculation 20. cycles and you can easily
combustion forget whether it is reactants
Method 2: products or vice versa.
reactants Hoc for CO2 and H2O is zero.
products Hoc values for many
H oc () compounds can be found in
H oc () Table 12 of the data booklet.
H r=

Hr = enthalpy change of
reaction
Hoc = enthalpy change of
combustion

24. Calculating You need to build a Born-Haber cycle.see the Energetics PowerPoint
lattice enthalpy for help.
25. Calculating S products Units are J K-1 mol-1
from standard products So values can be found in Table
entropy values S o () 11 of the data booklet
S ()
o You cannot assume that So of
an element is zero. It is not.
S =
o

So = standard entropy change of

reaction
So = standard entropy of each
substance

26. Calculating Gr Method 1: Make a Hess cycle, Units are J or kJ mol-1

standard Gibbs Free then do similar to Calculation 20. It is more reliable to use Hess
Energy of Formation cycles and you can easily
values Method 2: forget whether it is products
products reactants or vice versa.
reactants Gof for elements in their
Gof () standard states is zero.
Gof () Gof values for many
compounds can be found in
G r=
Table 11 of the data booklet.

Gr = Gibbs free energy of

reaction
Gof = Gibbs free energy of
formation

27. Calculating Gr G= HT S If H is in kJ mol -1, you will

from experimental need to divide S by 1000 to
data convert it to units of kJ K-1 mol-1
G = Gibbs free energy
You may first need to calculate
H = Enthalpy change
H and S using Calculations
T = Temperature in Kelvin
23 and 24.
S = Entropy change
Kinetics
Purpose The Calculation Notes
28. Calculate the [R ] [ P] Units are mol dm-3 s-1
rate of a reaction
Rate= =
t t The minus sign in front of [R]
is because the concentration of
reactants decreases
[R] = change in reactant
concentration
[P] = change in product
concentration
t = change in time
29. Calculate the change y Used for calculating rate from
Gradient=
gradient of a slope change x graph of concentration (y-axis)
over time (x-axis)
30. Determine the 1. Identify two experiments, Sometimes, you cant find two
order of reaction where the concentration of x cases where only [x] has
with respect to a has changed, but all others changed, in which case you
reactant, x. have remained the same. may need to take into account
2. Compare the change in [x] to the order of reaction with
the change in rate: respect to other reactants.
a. If doubling [x] has no
effect on rate, then 0th
order.
b. If doubling [x] doubles
rate, then 1st order.
c. If doubling [x]
quadruples rate, then
2nd order.
31. Deduce a rate Rate=k [ A] x [B] y [C ] z Reactants with a reaction order
expression of zero can be omitted from
the rate equation
k = rate constant (see below) Given suitable information, you
[A/B/C] = concentration of each may need to calculate the
reactant value of the rate constant if
x/y/z = order of reaction with given rates, concentrations and
respect to each reactant reaction order, or the expected
rate given the other
information.
 Purpose The Calculation Notes
32. Determining the mol dm s
3 1
If you cant understand this, try
units for the rate Units= x 3 x to memorise:
mol (dm )
constant o 0th order: mol dm-3 s-1
o 1st order: s-1
Mol and dm-3 terms on the top o 2nd order: mol-1 dm3 s-1
and the bottom should be o 3rd order: mol-2 dm6 s-1
cancelled out
Remaining mol and dm-3
terms on the bottom should
then be brought to the top by
inverting their indices.

x = the overall order of the

reaction
33. Determining The Arrhenius equation: Units of Ea are kJ mol-1
activation energy Ea
From the graph, you might also
RT
k =A e be asked to calculate A:
o ln A, is the y-intercept
Where: of the graph, so simply
o k = rate constant raise e to the power of
o A = Arrhenius constant this intercept.
o e = exponential
constant
o Ea = activation energy
o R = gas constant, 8.31
o T = temperature in
Kelvin

This rearranges to:

Ea 1
ln k = . + ln A
R T

Which is basically the equation

for a straight line in the form
y=mx+c where:
o y is ln k
o x is 1/T
o m is Ea/R
o c is ln A
So, if we do a reaction at a range
of temperatures and calculate ln
k, then:
Draw a graph with 1/T along
the x-axis, and ln k on the y-
axis
Draw a straight line of best fit.
Determine the gradient of the
line
Then:
Ea =Gradient R
Equilibrium
Purpose The Calculation Notes
34. Determining the For the reaction: Only applies to reactants for
equilibrium constant wA + zB yC + zD which there is a concentration:
expression o Aqueous substances are
D included
o Solids and pure liquids
are omitted as they do
z
not have a concentration
[C] y
per se
K c = For reactions involving gases,
use partial pressures instead of
Kc = equilibrium constant concentrations.
At SL, you only need be able to
construct the expression.
At HL, you may need to
calculate Kc from the
expression and suitable data,
or to determine reactant
equilibrium concentrations of
reactants, given Kc and suitable
information.

Acids and Bases

Purpose The Calculation Notes
35. Determining For each increase of 1 on the At SL, you do not need to be
changes in [H+] pH scale, divide [H+] by 10. able to calculate pH, just to
given changes in pH For each decrease of 1 on understand it in relative terms.
the pH scale, multiply [H+] by
10
 Purpose The Calculation Notes
+
36. Deduce [H ] and + At standard conditions, Kw =

[OH-] given Kw H 1.00x10-14

Kw varies with temperature, so
OH
it is important to know how to
K w = do this calculation.

So:
+
H


OH

And:

OH

+
H

37. Calculating pH + With strong acids, you can

from [H+] and vice H assume [H+] is the same as the
versa pH=log 10 concentration of the acid
(adjusted for the
+ stoichiometry)
H =10 pH With weak acids, you will need
to calculate [H+] using Ka or
pKa.
38. Calculating pH With strong bases, you can
from [OH-] and vice OH assume [OH-] is the same as
versa pOH=log 10 the concentration of the acid
(adjusted for the
stoichiometry)
OH =10pOH With weak acids, you will need
to calculate [OH-] using Kb or
pKb.
39. Determining Ka K w =K a . K b This is useful when trying of
and Kb of determine the strength the
acids/bases and conjugate base of a weak acid,
their conjugate So: and the conjugate acid of a
bases/acids Kw weak base.
K a=
Kb

And:
Kw
K b=
Ka
 Purpose The Calculation Notes
40. Determining pKa pK w = pK a + pK b This is useful when trying of
and pKb of determine the strength the
acids/bases and conjugate base of a weak acid,
their conjugate So: and the conjugate acid of a
bases/acids pK a= pK w pK b weak base.

And:
pK b= pK w pK a

41. Determining pH pK w = pK a + pK b This is useful to quickly and

from pOH and vice easily calculate one of pH/pOH
versa from the other (or [H+]/[OH-]).
So:
pH=14 pOH

And:
pOH=14 pH

42. Calculating pH + We assume that [HA] is equal

of a solution of a H to the concentration stated in
weak acid
the question, as only a very
A
small amount has dissociated.
You may need to work
backwards from pH to work out

Ka:
K a=
+
H =10 pH
Since [H+] = [A-]:
+
H
Then:
2 +
H

K a= 2


So: K a=
H

+ You will not need to work out
problems for polyprotic weak
acids that would require
quadratics.
Then:
+
H
pH=log 10
 Purpose The Calculation Notes
43. Calculating pOH + We assume that [BOH] is equal
of a solution of a B to the concentration stated in
weak base the question, as only a very
OH
small amount has dissociated.
You may need to work
backwards from pOH to work

out Kb:
K b=

OH =10pOH
Since [B+] = [OH-]:

OH
Then:
2
OH

K b= 2


So: K b=
OH

Then:

OH
pOH=log 10
 Purpose The Calculation Notes
44. Determining pH + You may need to use your
of acidic buffer H stoichiometry to calculate the
solutions (and alkali [HA] and [A-] in the buffer
A
buffers) solution first.

Since additional A- is added, we
now need to use the

concentration of A- from the
K a= buffer as our [A-].
[HA] should either be that
stated in the question, or that
Now [H+] is not equal to [A-]: calculated via stoichiometry,
depending on the context.
So:
H For alkali buffers, do the same
process but with OH-, Kb etc.
+

A

K a .

Then:
+
H
pH=log 10

Oxidation and Reduction

Purpose The Calculation Notes
o
45. Calculate E cell
o o
E =E ( cathode )E o
The value should always be
cell (anode)
positive, so if you get it the
wrong way round, just take off
Eocell = cell potential the minus sign.
Eo = standard electrode potential Eo can be found in the data
booklet.
You do not need to take the
stoichiometry of the reaction
into account, just use the Eoas
they are in the data booklet.

Organic Chemistry
 Purpose The Calculation Notes
No calculations. Huzzah!

Measurement and Processing

Purpose The Calculation Notes
46. Calculating Large measurements have
relative absolute uncertainty lower relative uncertainties
Relative uncertainty=
uncertainties (in %) value
.100

47. Calculating This only works when adding

absolute uncertainty Total uncertainty= ( absolute uncertainties)
and subtracting values with the
when same units
addition/subtraction
is involved
48. Calculating For use when you are
relative uncertainty Total uncertainty= ( relative uncertainties)
multiplying/dividing values
when with different units
multiplication/divisio
n is involved

Human Biochemistry
Purpose The Calculation Notes
47. Calculating the Use: You may need to convert the
energy value of food energy value into a value per
from combustion q=mc T mole by dividing q by the
data number of moles of substance
burnt.
q = the heat change in Joules
m = the mass of substance in
grams
c = specific heat capacity in J K-1
g-1
T = temperature rise in K or OC

48. Calculating 100 All units should be grams

N (I 2)=m ( I 2 ) .
iodine numbers m(lipid) You may need to convert from
data involving bromine to an
iodine equivalentjust use
N(I2) = the iodine number your stoichiometry
m(I2) = the mass of iodine
reacting in g
m(lipid) = the mass of lipid
involved in g
 Purpose The Calculation Notes
49. Calculate the Calculate the quantity in moles of This works because each mole
number of double I2 corresponding to the iodine of double bonds reacts with
bonds in a lipid number: one mole of iodine.
using iodine number. I
I
N ( 2)
M r ( I 2)
n( 2)=

Calculate the quantity in moles of

lipid in 100g:
100
n(lipid )=
M r (lipid )

Then the number of double

bonds is:
I
n( 2)
n(lipid )
Double bonds=

Where:
N(I2) = the iodine number
n = quantities in moles
Mm = molar masses

Medicines and Drugs

Purpose The Calculation Notes
No calculations. Huzzah!