By Tim King · Updated
Empirical Formula Calculator
Empirical and Molecular Formula From Percent Composition or Grams
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How the Empirical Formula Calculator works
This empirical formula calculator turns a lab analysis into a chemical formula. Type each element with its mass percent or its mass in grams, such as C 40, H 6.71, O 53.3, and it finds the simplest whole-number ratio of atoms. Add the molar mass and it scales up to the molecular formula as well.
An empirical formula gives the simplest ratio of atoms in a compound, while the molecular formula gives the actual number in one molecule. Glucose, C₆H₁₂O₆, and formaldehyde, CH₂O, share the same empirical formula because their atoms are in the same 1 : 2 : 1 ratio. Combustion analysis and other lab methods give percentages, and this is how chemists get back to a formula.
How the empirical formula calculator works
Treat percentages as grams in a 100 g sample. Divide each element's mass by its atomic mass to get moles, then divide every mole value by the smallest. If the ratios are close to halves, thirds or quarters, multiply all of them by 2, 3 or 4 to clear the fraction. The molecular formula is the empirical formula times n, where n = molar mass ÷ empirical formula mass.
First example. C 40.0%, H 6.71%, O 53.3% gives 3.33 mol C, 6.66 mol H and 3.33 mol O, a 1 : 2 : 1 ratio, so the empirical formula is CH₂O at 30.03 g/mol. With a molar mass of 180.16, n = 6 and the molecular formula is C₆H₁₂O₆.
Second example. Fe 69.94%, O 30.06% gives a ratio of 1 : 1.5, which doubles to Fe₂O₃.
How many decimal places do I need in the ratio? A ratio within about 0.1 of a whole number can be rounded; 1.5, 1.33 or 1.25 need multiplying first.
Empirical and molecular formulas of common compounds
| Compound | Molecular formula | Empirical formula | n | Molar mass (g/mol) |
|---|---|---|---|---|
| Glucose | C6H12O6 | CH2O | 6 | 180.16 |
| Benzene | C6H6 | CH | 6 | 78.11 |
| Acetylene | C2H2 | CH | 2 | 26.04 |
| Hydrogen peroxide | H2O2 | HO | 2 | 34.01 |
| Ethane | C2H6 | CH3 | 2 | 30.07 |
| Butane | C4H10 | C2H5 | 2 | 58.12 |
| Cyclohexane | C6H12 | CH2 | 6 | 84.16 |
| Acetic acid | C2H4O2 | CH2O | 2 | 60.05 |
| Oxalic acid | C2H2O4 | CHO2 | 2 | 90.03 |
| Hydrazine | N2H4 | NH2 | 2 | 32.05 |
| Dinitrogen tetroxide | N2O4 | NO2 | 2 | 92.01 |
| Diborane | B2H6 | BH3 | 2 | 27.67 |
| Naphthalene | C10H8 | C5H4 | 2 | 128.17 |
| Caffeine | C8H10N4O2 | C4H5N2O | 2 | 194.19 |
| Ethylene glycol | C2H6O2 | CH3O | 2 | 62.07 |
| Fructose | C6H12O6 | CH2O | 6 | 180.16 |
| Ribose | C5H10O5 | CH2O | 5 | 150.13 |
| Styrene | C8H8 | CH | 8 | 104.15 |
| Phosphorus pentoxide | P4O10 | P2O5 | 2 | 283.89 |
| Mercury(I) chloride | Hg2Cl2 | HgCl | 2 | 472.08 |
| Sucrose | C12H22O11 | C12H22O11 | 1 | 342.30 |
| Ethanol | C2H6O | C2H6O | 1 | 46.07 |
Tips and pitfalls
- Grams work too. You do not need percentages; any masses of each element from one sample give the same ratio.
- Find oxygen by difference. Combustion analysis often reports only C and H, so subtract their percentages from 100 to get oxygen.
- Do not round too early. Rounding 1.5 to 2 turns Fe₂O₃ into FeO, a different compound.
- Molar mass must be a multiple. If the molar mass is not close to a whole multiple of the empirical mass, check the data.
FAQ
How do you find the empirical formula from percentages?
Assume a 100 g sample so each percentage becomes grams. Convert grams to moles with the atomic masses, divide every mole value by the smallest one, and multiply by a small whole number if needed to get whole numbers. Those numbers are the subscripts.
What is the difference between empirical and molecular formula?
The empirical formula is the simplest whole-number ratio of atoms, and the molecular formula is the real count in one molecule. Benzene is C₆H₆ but its empirical formula is CH. Ionic compounds like NaCl are only ever written as empirical formulas.
How do I get the molecular formula?
Divide the molar mass, found from a mass spectrum or a gas density measurement, by the empirical formula mass. The answer should be close to a whole number. Multiply every subscript in the empirical formula by it to get the molecular formula.
What if my percentages do not add to 100?
Small gaps from rounding are fine, and the calculator notes when the total is off by a few percent. A big gap usually means an element was not measured, often oxygen, so add the missing percentage for it.
Why do I multiply when the ratio is 1.5?
Formulas need whole numbers of atoms, and 1.5 is not one. Doubling every value turns 1 : 1.5 into 2 : 3. Ratios ending in .33 or .67 need multiplying by 3, and ratios ending in .25 or .75 by 4.
See also: all Chemistry tools, Physics, Electronics.
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