TY = (mass_LR / MW_LR) × (coeff_product / coeff_LR) × MW_product
Theoretical yield is the maximum amount of product that can be formed from a given amount of limiting reagent, assuming the reaction goes to 100% completion with no losses. Steps: (1) Convert limiting reagent mass to moles (n = m/MW). (2) Use the mole ratio from the balanced equation to find moles of product. (3) Convert product moles to mass (m = n × MW). The limiting reagent is the reactant that produces the least product. Theoretical yield is always compared to actual yield to get percent yield. In practice, actual yield is always less due to: incomplete reactions, side products, mechanical losses during transfer and purification, and equilibrium limitations. Good synthetic planning minimizes the difference.