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How to calculate empirical formulas and the number of waters of hydration in a compound using its percent composition. It includes examples of calculating the empirical formula for silicon bromide and determining the number of waters of hydration for copper(ii) chloride dihydrate.
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The compound disilicon hexafluoride has the formula Si 2 F6. The percent composition would be calculated from the atomic masses (atomic weights) as follows:
Si 28.092 = 56.18
= 33.01 % Si
170.18 molecular mass (molecular weight)
To obtain the formula from the percent composition one can convert masses to moles and find the mole ratio. If masses are not given, it is convenient to (arbitrarily) start with 100. g of compound to obtain elemental masses. So in this case 100.0 g would contain 33.01 g Si and 66.99 g F. Convert these masses to moles and scale to simple whole numbers.
33.01 g Si
1 mol Si 28.09 g Si
= 1 Divide both numbers by the smallest number.
66.99 g F
1 mol F 19.00 g F
= 3.00 Si 1 F 3 SiF 3
SiF 3 is the empirical formula. The empirical formula is the molecular formula reduced to the simplest whole number ratio of atoms. It is not possible to get back to the molecular formula, Si 2 F 6 , from percent composition without further information.
A silicon bromide compound is 11.65% Si and 88.35% Br. Calculate the empirical formula.
11.65 g Si
1 mol Si 28.09 g Si
88.35 g Br
1 mol Br 79.90 g Br
= 2.667 3 8.00 Si 3 Br 8
Notice that the division by the smallest number (0.415) did not give whole numbers in this case, so a further step is required. 2.667 cannot be rounded to 3.0 to give the compound SiBr 3 , because SiBr 3 will not agree with the percent composition. ( SiBr 3 is 10.5% Si and 89.5%Br) Since 2. = 2^2 / 3 it is appropriate to multiply both numbers by 3. If you are not certain what to multiply by, try multiplying by integers 2, 3, 4, 5… until both subscripts reach integer values or nearly integer values—say within 0.05. If the final numbers seem unusually large, double-check all calculations. If the numbers came directly from an experiment, it may be necessary to try the experiment again to get better data.
A hydrated compound like CuCl 2 2H 2 O has a percentage of the compound that is H 2 O and a percentage that is the anhydrous (without water) CuCl 2. This is easily calculated from the molecular weight:
MW of CuCl 2 2H 2 O is 134.5 (= 63.55 + 235.45) + 218.016 = 170.
% CuCl 2 =^2 2 2
134.5 g CuCl 170.5 g CuCl 2H O
100% = 78.9 % CuCl 2
2 2
2 18.016 g H O 170.5 g CuCl 2H O
Problem: The hydrated compound CuCl 2 xH 2 O is 21.1 % water. Determine the value of x.
The problem can be solved by methods used for determination of an empirical formula. Determine the mole ratio of CuCl 2 and H 2 O in the compound.
Calculate moles of CuCl 2 and H 2 O in 100.0 g of the hydrate, CuCl 2 xH 2 O.
78.9 g CuCl 2 ^2 2
1 mol CuCl 134.5 g CuCl
= 0.587 mol CuCl 2
21.1 g H 2 O^2 2
1 mol H O 18.016 g H O
= 1.17 mol H 2 O
so^2 2
1.17 mol H O 0.587 mol CuCl
= 1.99 so x must equal 2,
i.e, in the hydrate there are 2 moles of water per every mole of CuCl 2.
The formula for the hydrate is: CuCl 2 2H 2 O
Try these problems:
Answers: 1. x=7 VSO 4 ∙7H 2 O 2. x= 12 Mg 2 Fe(CN) 6 ∙12H 2 O 3. Np 3 O 8