Step 1: Determine Mass or Percentage: Start with the mass of each element in a sample or the percentage composition by mass. If percentages are given, assume a sample to treat percentages as mass values.
Step 2: Convert to Moles: Divide the mass of each element by its relative atomic mass (). This converts the 'mass ratio' into a 'molar ratio', which reflects the number of particles.
Step 3: Find the Simplest Ratio: Divide all molar values by the smallest value obtained in Step 2. This identifies the relative proportions of atoms.
Step 4: Ensure Whole Numbers: If the results are not whole numbers (e.g., or ), multiply all values by a common factor (e.g., or ) to achieve the simplest whole-number ratio.
The Multiplier (): To find the molecular formula, you must know the relative molecular mass () of the compound, often determined via mass spectrometry or the ideal gas equation ().
Empirical Formula Mass: Calculate the sum of the atomic masses in the empirical formula. This is known as the empirical formula mass ().
Calculation: Divide the actual by the to find the integer .
Final Step: Multiply every subscript in the empirical formula by to obtain the molecular formula.
Hydrated vs. Anhydrous: Some ionic compounds incorporate water molecules into their crystalline lattice, known as water of crystallisation. A hydrated salt contains these molecules, while an anhydrous salt has had them removed, usually through heating.
Notation: The water is shown after a dot in the formula, such as , where represents the number of moles of water per mole of salt.
Experimental Determination: By weighing a hydrated sample, heating it to a constant mass (to ensure all water is evaporated), and re-weighing, the mass of water lost can be used to calculate the molar ratio between the salt and the water.
| Feature | Empirical Formula | Molecular Formula |
|---|---|---|
| Definition | Simplest whole-number ratio | Actual number of atoms |
| Application | All compounds (Ionic & Covalent) | Discrete molecules only |
| Information | Relative proportions | Exact composition |
| Example | or |
Rounding Caution: Never round intermediate mole values too early. Keep at least 3-4 decimal places until the final ratio step to avoid significant errors in the whole-number ratio.
The '0.5' Rule: If your ratio ends in , do not round up to the next integer. You must multiply the entire ratio by . Similarly, multiply by for or .
Constant Mass: In water of crystallisation problems, 'heating to constant mass' is the standard procedure to ensure the reaction is complete and all water has been removed.
Unit Consistency: When using the ideal gas equation to find , ensure pressure is in , volume is in , and temperature is in .