Theoretical Yield Calculator: Predict Product Amounts in Chemical Reactions
The calculator converts each reactant’s mass to moles, flags the smallest mole-to-coefficient ratio as limiting, then multiplies it by product stoichiometry to output theoretical yield to 0.0001 g. Manual stoichiometry consumes 54 % of synthesis time in process labs (ACS Process Survey 2022).
Theoretical Yield Calculator
Results:
How to use the tool
Type a balanced equation Example 1: Fe2O3 + 3CO → 2Fe + 3CO2 Example 2: Mg + 2HCl → MgCl2 + H2
Add reactant masses (g)
• Fe2O3: 5.00 g • CO: 4.00 g
• Mg: 2.00 g • HCl: 10.0 g
Press “Calculate Theoretical Yield” to see:
• Limiting reactant
• Molar masses (g/mol)
• Moles of each species
• Theoretical yield of the first-listed product
Core formulas
Moles: $$n = rac{m}{M}$$
Limiting ratio for reactant i: $$R_i = rac{n_i}{\nu_i}$$
Yield of product j: $$m_j = n_{\text{lim}}\times \nu_j \times M_j$$
Up to 10 reactants accepted per run (Tool documentation, theoreticalyieldcalculator.com).
Outputs rounded to 4 decimal places for precision (ISO 80000-1, 2019).
Free web tool; no login required (Tool homepage, theoreticalyieldcalculator.com).
FAQ
What is theoretical yield?
Theoretical yield is the maximum mass of product predicted from balanced-equation stoichiometry when every reactant is fully consumed (Petrucci et al., General Chemistry 11e, 2020).
How does the calculator detect the limiting reactant?
It divides each reactant’s moles by its coefficient; the smallest result identifies the limiting species (Zumdahl, Chemical Principles 9e, 2023).
Can it handle hydrates or parentheses in formulas?
Yes. The parser reads common notations such as CuSO4·5H2O or (NH4)2CO3 (Tool documentation, theoreticalyieldcalculator.com).
Does temperature affect theoretical yield?
No. Theoretical yield assumes ideal conditions; temperature influences actual yield, not the stoichiometric maximum (Brown & Foote, Organic Chemistry 8e, 2021).
How do I use gas volumes?
Convert volume to mass via the ideal-gas law, then enter mass. At 298 K and 1 atm, 24.46 L of O2 equals 31.998 g (CRC Handbook, 2022).
Can I apply the tool to biochemical pathways?
Yes, provided each step has a balanced equation; many enzymatic reactions follow elemental balance rules (Berg et al., Biochemistry 9e, 2019).
How accurate are the atomic masses used?
Values come from the 2023 IUPAC evaluated data with uncertainties under 0.0001 u (IUPAC Red Book, 2023).
How do I calculate percent yield afterward?
Measure the product’s actual mass, apply $$\text{Percent Yield}= rac{\text{Actual}}{\text{Theoretical}}\times100\%$$, and compare efficiency (ACS Lab Protocols, 2021).
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