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Chemical Calculations Topic1pt2

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Chemical Calculations Topic1pt2

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Rakan Abusheikha TOPIC 1 FORMULAE, Ajnabi jo

EQUATIONS AND
AMOUNT OF
SUBSTANCE

CHEMICAL CALCULATIONS:
1. Mole: The amount of substance that contains the same number of
particles as the number of carbon atoms in exactly 12g of the C12
Isotope.
2. Relative atom mass (AR): The weighted mean mass of an atom
compared to 1/12 of the mass of an atom of C12
AR=mean mass of an atom of an element/ 1/12 of the mass of an atom
of c12
3. Relative molecular mass (Mr): The sum of all the relative atomic
masses present in a molecule.
4. Relative Formula Mass (Mr): is used for ionic compounds and giant
structures.
5. Molar mass (M): The mass of one mole of any substance (molecular or
ionic). Unit: g.mol-1.... M(Na);22.9g/mol vs Mr(Na); 22.9 amu
6. Avogadro’s constant : 6.02 x mol-1, the number of particles in one
mole of a substance. 1 mole of any substance contains 6.02x10^23
particles of this substance. (particles means atoms, molecules, ions
orelectrons, protons, nuetrons.

Molar Calculations and Equations:(very important)


1. moles= mass of a substance/molar mass in gmol^-1 or n=m/M,
m=n x mR
2. Moles= Volume in dm3/ 24 or volume in cm3/24000 V=n x 24
3. Moles= Concentration x volume (dm3) n=C x V
4. Ideal Gas Law:

pV=nRT
Where; pressure: Pascals n= moles volume= in m3
Rakan Abusheikha TOPIC 1 FORMULAE, Ajnabi jo
EQUATIONS AND
AMOUNT OF
SUBSTANCE

R: gas constant; 8.31 J/mol/K

Important conversion of units:


Kpa=1000pa 1m3= 1000000 cm3 1m3=1000dm3

1atm = 1.01x10^5 pa 1atm= 760 mmHg K--_-273---->C

Equations Derived from Ideal Gas Law:


A) pV=nRT; n=m/Mr ; pV=m/Mr x RT; Mr=mRT/ pV
• Used to identify element or mole not given directly
B) Density (d)= mass/volume ; pMr=m/v RT; Mr=dRT/p
• Used when density is given

Equation #2 explanation: finding moles from gas volume


Moles= Volume dm3/24
• Molar Volume: the volume occupied by 1 mol of any gas; This is
normally 24dm3 at room temperature and pressure.
• Molar volume is the same for all gases but changes with temperature
and pressure.
• R.T.P: room temperature 25C or 298K and pressure 1atm

Equation #3 explanation: Moles from the concentration of


solutions:
• The concentration of a solution is the amount of a solute in a certain
volume of the solvent in dm3
• Solute: The substance that is dissolved
Rakan Abusheikha TOPIC 1 FORMULAE, Ajnabi jo
EQUATIONS AND
AMOUNT OF
SUBSTANCE

• Solvent: The substance that dissolves the solute


• Solution: The solute dissolved in the solvent

• A) Molar concentration or molarity (c): the amount in mol of the


solute divided by the volume of the solution. Unit ( mol.dm3)
Molar concentration = amount in mol/volume in dm3 or c=n/4
• B) mass concentration: The mass in grams of the solute divided by
the volume of the solution. Unit( g.dm^-3)

Mass concentration = Mass of solute (g)/ Volume of solution (dm3)

Avogadro’s constant:
1 mole of any substance contains 6.02x10^23 particles of this substance

Avogadro’s Law:
States that equal volumes of gases ( at the same temperature and pressure)
contain the same number of molecules (6.02x10^23).
1 mole = 6.02x10^23 particles
Number of moles = number of particles/ 6.02x 10^23

Percentage Yield :
%Yield: actual yield / theoretical yield x100%
• Theoretical yield: the maximum possible mass of a product in a
reaction, assuming complete reaction and no losses.
• Actual Yield: The actual mass obtained in the reaction.
Rakan Abusheikha TOPIC 1 FORMULAE, Ajnabi jo
EQUATIONS AND
AMOUNT OF
SUBSTANCE

• Why the theoretical yield differ from actual yield?


1. The reaction is reversible so it may not be complete
2. There are side reactions that lead to unwanted products
3. The product may need to be purified, leading to loss of product.

Atom Economy :
The molar mass of the desired product divided by the sum of the molar
masses of all the products, expressed as percentage.

Atom economy= molar mass of the desired product/sum of Mr of all


products x100%

The higher the atom economy the more efficient/ better reaction
Atom economy is a measure of the efficiency of a reaction.

Percentage yield is a measure of the effectiveness of a reaction


High atom economy means fewer waste products, greener and more
economical
Yield and economy are not correlated

Percentage purity :
mass of pure substance/ mass of impure substance

Limiting and Excess reactants:


• Limiting reactant: The reactant that has fewer moles than the other
reactants so would control the reaction
• Excess Reactant: The reactant that has more moles than other
reactants so it can’t control the reaction.
Rakan Abusheikha TOPIC 1 FORMULAE, Ajnabi jo
EQUATIONS AND
AMOUNT OF
SUBSTANCE

• Steps to know the limiting reactant:


1. calculate the moles of each reactant and simplify in 1:1 ratio
2. the reactant with fewer moles is the limiting reactant
3. the reactant with more moles is the excess reactant.

Steps Calculations from equations:

1. Write the mole ratios of reactants and products


2. Decide the limiting reactant
3. Find the number of moles of limiting reactant
4. Find the number of moles of the unknown substance
Moles of unkown= coeff of unknown/coeff of known x moles of
known

Mass Composition:
Percentage composition = Ar of atom/ Mr of compound x
100%
Mass composition = Ar of atom/ Mr of compound x mass of
compound

EMPIRICAL & MOLECULAR FORMULAE

• Empirical Formula: The formula that shows the smallest whole-


number ratio of atoms of each element in a compound.
• Molecular Formula: The formula that shows the actual number of
atoms of each element in a molecule.
To find the empirical formula of a compound:
Rakan Abusheikha TOPIC 1 FORMULAE, Ajnabi jo
EQUATIONS AND
AMOUNT OF
SUBSTANCE

1-% composition by mass or mass m and the molar mass M of each atom are
given. (If not given then calculate it using a suitable rule).
2- Calculate the number of moles of each atom. (using the role shown).
n = m/ M

3- Write the moles ratio of all atoms in its whole-number ratio by dividing all
ratios by the smallest moles value of them.

4-Deduce the empirical formula.


• If one of the atoms has an unknown percentage or mass, then you can
calculate it by subtracting the mass of the known atoms from the total mass.
Determining the empirical formula using combustion analysis:

Combustion reactions of organic compounds produce carbon dioxide and


water, then when a known mass of an organic compound is completely
burned, it is possible to collect and measure the masses of carbon dioxide
and water formed.

To determine the empirical formula of a known mass organic compound


contains carbon, hydrogen and oxygen:

1- The masses of CO₂ & H₂O are known and given.


2- Calculate the mass composition of C from CO2.

3- Calculate the mass composition of H from H₂O.


4- Calculate the mass of O by subtracting the masses of C & H from the total
mass, then follow the steps of finding the formula from known masses.

* To find the molecular formula of a compound from the empirical


formula:

1- Mr value of the molecular formula is given.


Rakan Abusheikha TOPIC 1 FORMULAE, Ajnabi jo
EQUATIONS AND
AMOUNT OF
SUBSTANCE

2- Calculate Mr of the known empirical formula.

3- Calculate the multiple (N) as shown.


4- Molecular formula = Empirical formula. N= Mr of molecular/Mr of empirical
Multiply the N value by each atom of the empirical formula and deduce the
molecular formula.

Concentration in ppm (parts per million):


The number of parts of one substance in one million parts of another
substance. Usually, 'parts' refers to masses of both substances, or to
volumes of both substances. This measure is used for the very small
concentrations.

The mass x 10° of the solute divided by the mass of the solvent. (When used
for solutes or pollutants in water). The masses can be in any units, but they
must be the same units.

Concentration in ppm= mass of solute x1000000/mass of


solvent
The volume x 10° of the gas divided by the volume of air. (When used for
solutes or pollutants in air). The masses can be in any units, but they must be
the same units

Concentration in ppm= volume of gas x1000000/ volume


of air
Rakan Abusheikha TOPIC 1 FORMULAE, Ajnabi jo
EQUATIONS AND
AMOUNT OF
SUBSTANCE

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