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Chapter 7 Quantitative Composition of Compounds Making new chemicals is much like following a recipe from a cook book... 1 cup flour + 2 eggs + ½ tsp baking powder 5 pancakes … except you don’t get to lick the spoon! What if you want to make more (or less)? Suppose you have plenty of flour and baking powder, but only 8 eggs. How many pancakes can you make? You can solve it using conversion factor: 8 eggs x 5 pancakes 2 eggs = 20 pancakes 5 pancakes 2 eggs Solve it in your head: 2 eggs makes 5 pancakes, so four times more eggs makes 20 (5x4) pancakes. Practice using the following mouthwashing, diet-buster recipe: 3 blocks cream cheese + 5 eggs + 1 cup sugar = 1 cheese cake. How many cheese cakes can we make out of 15 eggs? 1 cake 15 eggs x 5 eggs = 3 cheese cakes How much sugar do we need for 5 cheese cakes? (5) Suppose you want to ‘whip’ a batch of hydrogen iodide, following the balanced chemical equation: H2 + I2 2 HI How much H2 and I2 should you use to make 10 g of HI? A common mistake is that H2 and I2 react in one-to-one mass ratio so: 5 g H2 + 5 g I2 10 g HI The coefficients balancing the equation refer to number of atoms, not masses. Introducing the mole. The mole is like a dozen, but much, much more. The mole is Avogadro’s Number of items. 1 mole = 602,214,179,000,000,000,000,000 or 6.022 x 1023. We need the mole because the mass of an atom is too small to be measured on a balance. Remember: 1 amu = 1.6 x 10-24 g. 1 mole of anything: donuts, pancakes, is always 6.022 x atoms, molecules, ions… 1023 of that thing. 1 mole of soft drink cans is enough to cover the surface of the earth to a depth of over 200 miles. If we were able to count atoms at the rate of 10 million per second, it would take about 2 billion years to count the atoms in one mole. The mole translates between the number of atoms (or molecules, ions) and grams of atoms (molecules, ions). It is defined as the mass of Avogadro’s number of atoms 126C, which, in turn, weights exactly 12 g. A mole of atoms weighs the same number of grams as the atomic mass. One mole of H atoms weighs 1.0079 g. One mole of C atoms weighs 12.011 g. H2 Amadeo Avogadro The mole Atomic mass refers to: the sum of protons and neutrons in a single atom, weighted average mass of all isotopes of an element and also to the number of grams in one mole of atoms. + I2 = 2 HI 1 molecule 2 H atoms 1 molecule 2 I atoms 12 molecules 12 molecules 6.022 x 1023 molecules 1 mole 2.0158 g 6.022 x 1023 molecules 1 mole 253.81 g 2 molecule 2 x (1 atom H, 1 atom I) 24 molecules 1.204 x 1024 molecules 2 mole 255.8258 g or any number of molecules 1 mole of H2 weighs 2 x 1.0079 g = 2.0158 g Conversion factors: 1 mole 6.022 x 1023 species 1 mole molar mass Mole - mass - atoms conversions Q1: How many atoms in 0.5 mole Au? 6.022 x 1023 atoms Au 0.5 mole Au x 1 mole Au = 3.011 x 1023 atoms Au Q1a: How many moles in 7.12 x 1024 atoms of Cu? 1 mole Cu 7.12 x 1024 atoms Cu x 6.022 x 1023 atoms Cu = 11.8 mol Cu Q2: What is the mass of 0.5 mol Au? 196.967 g Au 0.5 mole Au x 1 mole Au = 98.4835 g Au Q3: How many atoms in 15.00 g Au? 6.022 x 1023 atoms Au 1 mole Au x = 4.59 x 1022 atoms Au 15.00 g Au x 1 mole Au 196.987 g Au Percent Composition Percent composition is % mass that each element in a molecule contributes to the total molar mass of the compound. Assume that you have one mole of the compound. What is the % composition of CH2O? Total mass = 12.01 g + 2.016 g + 16.00 g = 30.026 g 12.01 g %C = 30.026 g x 100 %C = 40.00 % %H = 6.71 % Practice: What is the % composition of glucose? Check your answer: it is the same as in CH2O! Types of Formulas + %O = 53.29 % 100.00 % CH2O is the empirical formula for glucose, C6H12O6 Empirical Formula: the formula of a compound that expresses the smallest whole number ratio of the atoms present. Formulas describe the relative number of atoms (or moles) of each element in a formula unit. It’s always a whole number ratio. If we can determine the relative number of moles of each element in a compound, we can determine a formula for the compound. Molecular Formula: the formula that states the actual number of each kind of atom found in one molecule of the compound. 1 molecule of C9H8O4 = 9 atoms of C, 8 atoms of H and 4 atoms of O. 1 mole of C9H8O4 = 9 mol of C, 8 mol of H and 4 mol of O atoms. Dr. Ent burned 0.5 g of the sample and obtained the total of over 1 g of products. How is that possible? Oxygen from air is a reactant! From the mass of the products (water and carbon dioxide) we determine the number of moles of C, H, and O, and from them obtain the empirical formula of the compound. 1. Determine the mass in grams of each element present, if necessary. Remember, % means “out of 100”. 2. Convert grams of CO2 and H2O (or C and H) into moles of C and H atoms. 3. Convert moles of C into grams of C. Do the same for H. 4. Add masses for C and H and subtract the sum from the mass of the sample to obtain mass of O. Convert the mass into moles of O. 5. Divide all number of moles with the smallest to obtain the subscripts of the empirical formula. 6. Divide the molar mass of the compound by the molar mass of the empirical formula. To find the molecular formula, multiply all subscripts in the empirical formula by this product. Note: steps 3, 4 apply only for finding formulas from combustion analysis. Combustion analysis shown 0.300 g H2O and 0.733 g CO2 from 0.500 g of sample. Find the empirical and molecular formula if the molar mass of the compound is 180.15 g/mol. 2 mol H atms 1 mol H2O x 0.3 g H2O x 18.01 g H 1 mol H2O 2O 2. = 0.0333 mol H at. 1 mol C atms 1 mol CO2 x 0.733 g CO2 x 44.01 g CO 1 mol CO2 2 = 0.0166 mol C at. 0.0333 mol H x 3. 1.008 g H 1 mol H = 0.0336 g H 12.01 g C = 0.199 g C 1 mol C g O = 0.5 – (0.0336 + 0.199) = 0.267 g O 1 mol O at. 0.267 g O x 16.00 g O = 0.0169 mol O at. Empirical Molar mass H: 0.0333 / 0.0166 = 2 formula emp. form. C: 0.0166 / 0.0166 = 1 CH2O 30.026 O: 0.0169 / 0.0166 ~ 1 0.0166 mol C x 4. 5. 6. Molar mass sample Molar mass emp. formula There is 6 CH2O units in the compound. = 180.15 =6 30.03 Molecular formula: C6H12O6. Find the empirical and molecular formulas if the % composition is 40.0% C, 6.70% H, 53.3% O, and the molar mass of the compound is 180.155 g/mol. 1. Assume that you have 100.00 g sample; the mass of each element is equal to the % composition. 40.0 g C, 6.70 g H, 53.3 g O. 2. 1 mol C 1 mol H 1 mol O 40.0 g C x 12.01 g C 6.70 g H x1.008 g H 53.3 g O x 16.00 g O = 3.33 mol O = 3.33 mol C = 6.65 mol H 1. Determine the mass in grams of each element present, if necessary. Remember, % means “out of 100”. 2. Convert grams of CO2 and H2O (or C and H) into moles of C and H atoms. 3. Convert moles of C into grams of C. Do the same for H. 4. Add masses for C and H and subtract the sum from the mass of the sample to obtain mass of O. Convert the mass into moles of O. 5. Divide all number of moles with the smallest to obtain the subscripts of the empirical formula. 6. Divide the molar mass of the compound by the molar mass of the empirical formula. To find the molecular formula, multiply all subscripts in the empirical formula by this product. Skip steps 3 and 4, they apply for combustion analysis only. 5. C: 3.33 / 3.33 = 1 H: 6.65 / 3.33 = 2 O: 3.33 / 3.33 = 1 Empirical formula CH2O. Emp. Formula mass = 30.026 Molar mass sample 180.155 = =6 Molar mass emp. formula 30.026 Thus, there are 6 (CH2O) units. Molecular formula: C6H12O6. 6. Practice (answer in parenthesis): 1. A compound has an empirical formula of NO2. The colorless liquid used in rocket engines has a molar mass of 92.0 g mole-1. What is the molecular formula of this substance? (N2O4) 2. A sample of a brown gas, a major air pollutant, is found to contain 2.34 g N and 5.34 g O. Determine an empirical formula for this substance. (NO2) 3. Percent composition of a compound is found to be 43.2% K, 39.1% Cl, and some O. Find the empirical formula. If the molar mass of the compound is 90.550 g mol-1, find the molecular formula. (KClO) Chapter 9 Calculations from Chemical Equations The molar mass of an element is its atomic mass in grams. It contains 6.022 x 1023 atoms (Avogadro’s number) of the element. The molar mass of a compound is the sum of the atomic masses of all its atoms. For instance: molar mass of NaCl is 22.99 + 35.45 = 65.44 g For calculations of mole-mass-number_of_particle relationships: Remember me? Conversions go through moles. 1. Use balanced equation. D 2 Al + Fe2O3 Al2O3 + 2 Fe 2 mol 1 mol 1 mol 2 mol 2. The coefficient in front of a formula represents the number of moles of the reactant or product. To quantitatively convert from one quantity to another we introduce mole ratio: 1 mol Fe2O3 2 mol Al 1 mol Fe2O3 1 mol Al2O3 Mole ratio is found from the coefficients of the balanced equation. moles of desired substance Mole ratio = moles of starting substance Which conversion factor will be used depends on starting and desired substance A mole of a compound weighs the sum of all atoms in the compound. Mole – Mole Conversions - Molecules Example 1:How many moles of NaCl result from the complete reaction of 3.4 mol of Cl2? Assume that there is more than enough Na. 2 Na(s) + Cl2(g) 2 NaCl(s) desired substance 3.4 moles Cl2 x 1 mole 2 moles 2 moles NaCl = 6.8 moles NaCl 1 mole Cl2 starting substance The following examples refer to the equation: Ca5(PO4)3F(s) + 5H2SO4(aq) 3H3PO4(aq) + HF(aq) + 5CaSO4(s) 1 mole 5 moles 3 moles 1 mole 5 moles Example 2: Calculate the number of moles of phosphoric acid (H3PO4) formed by the reaction of 10 moles of sulfuric acid (H2SO4) on phosphate rock: 10 moles H2SO4 x 3 moles H3PO4 5 moles H2SO4 = 6 moles H3PO4 Example 3: Calculate the number of moles of Ca5(PO4)3F needed to produce 6 moles of H3PO4. 6 moles H3PO4 x 1 mole Ca5(PO4)3F 3 moles H3PO4 = 2 moles Ca5(PO4)3F Mass – Mole conversion Example 4: Calculate the number of moles of H2SO4 necessary to yield 784 g of H3PO4. g Molar mass of H3PO4 = 97.994 mole Ca5(PO4)3F(s) + 5H2SO4 3H3PO4 + HF + 5CaSO4 1 mole 5 moles 3 moles 1 mole 5 moles 1. Convert the starting 1 mole H3PO4 784 g H3PO4 x substance into moles. = 8.00 moles H3PO4. 97.994 g H3PO4 2. Convert moles of starting substance into 5 moles H2SO4 8.00 moles H PO x = 13.3 moles H2SO4. 3 4 moles of desired 3 moles H3PO4 substance. 3. Convert moles of desired substance into the units specified in the problem. done. Ex. 5: Calculate the mass of phosphate rock, Ca5(PO4)3F needed to yield 200. g of HF. Molar masses: Ca5(PO4)3F = 504.31 g/mol; HF = 20.008 g/mol Step 1, 200. g HF x 1 mole HF = 10.0 moles HF x 1 mole Ca5(PO4)3F = 10.0 moles 20.008 g HF 1 mole HF Ca5(PO4)3F Step 2 504.3 g ph.r. = 5.00 kg Ca (PO ) F. Step 3: 5 4 3 10.0 moles Ca5(PO4)3F x 1 mole ph.r Step_by_step: Mass – mass conversion Ex. 6: Calculate the number of grams of H2SO4 necessary to yield 392 g of H3PO4. Ca5(PO4)3F(s) + 5H2SO4 3H3PO4 + HF + 5CaSO4 1 mole 5 moles 3 moles 1 mole 5 moles Molar mass H3PO4 = 97.994 g mole g Molar mass H2SO4 = 98.086 mole 1. Convert the starting substance into moles. 1 mole H3PO4 392 g H3PO4 x = 4.00 moles 97.994 g H3PO4 5 moles H2SO4 2. Convert moles of starting substance 4.00 moles H3PO4 x 3 moles H3PO4 into moles of desired substance. = 6.67 moles 3. Convert moles of desired substance into the units specified in the problem. 6.67 moles H2SO4 x 392 g H3PO4 x 98.086 g = 654 g H2SO4. 1 mole H2SO4 Combined steps: 1 mole H3PO4 x 5 moles H2SO4 x 98.086 g = 654 g H2SO4. 97.994 g H3PO4 3 moles H3PO4 1 mole H2SO4 Example 7: Find the mass of glucose that can be synthesized from 58.5 g of CO2, assuming that there is more than enough water to react with all the CO2. Molar masses are 44.01 g (CO2) and 180.16 (glucose). sunlight 6 CO2(g) 6 H 2O(l) 6 O 2(g) C6 H12O6(aq) 58.5 g CO2 x 1 mole CO2 1 mole glucose 180.16 g glucose = 39.9 g glucose x x 44.01 g CO2 6 moles CO2 1 mole glucose Conversion – General Case Mass to moles of starting compound Step 1 Moles of starting compound to moles of desired compound Step 2 Moles of desired comp. to units desired. Step 3 Mass – mass: All 3 steps Example 8: Calculate the mass of NH3 formed by the reaction of 112 grams of H2. N2 + 3H2 2NH3 grams H2 moles H2 moles NH3 grams NH3 Molar masses: H2: 2.016 g/mol; NH3: 17.034 g/mol 1 mole H2 2 moles NH3 17.034 g NH3 x x = 1420 g NH3 = 1.42 kg NH3. 2.016 g H2 3 moles H2 1 mole NH3 Starting Step 1 compound result Step 2 Step 3 Moles – moles: Step 2 only Example 9: Calculate the moles of NH3 formed by the reaction of 1.5 moles of H2. 2 moles NH 1.50 moles of H2 x 3 moles H 3 = 1.00 mole NH3. 2 112 g H2 x Starting compound Step 2 result Moles – mass: Step 2 and Step 3 only Example 10: Calculate the mass of NH3 formed by the reaction of 1.50 moles of H2. 17.034 g NH3 2 moles NH 1.50 moles of H2 x 3 moles H 3 x 1 mole NH = 17.0 g NH3. 3 2 Starting result Step 2 compound Step 3 Conversion – General Case (cont’d) Mass – moles: Step 1 and Step 2 only Example 11: Calculate the moles of NH3 formed by the reaction of 150. g H2. 1 mole H 2 moles NH N2 + 3H2 2NH3 150. g H2 x 2.016 g H2 x 3 moles H 3 = 49.6 g NH3. 2 2 Starting Step 1 Step 2 result compound Mass – particles: All 3 steps Example 12: Calculate the # molecules of NH3 formed by the reaction of 150. g H2. 1 mole H2 2 moles NH3 6.022 x 1023 molecules NH3 = 2.23 x 1025 112 g H2 x x x 2.016 g H2 3 moles H2 1 mole NH3 molecules NH3. Starting Step 1 Step 3 result compound Step 2 Limiting Reactant and Yield Calculations The amount of the product(s) depends on the reactant that is used up during the reaction, i.e. limiting reactant. One bicycle needs 1 frame, 1 seat and 2 wheels, therefore not more than 3 bicycles can be made. The number of seats is the limiting part (reactant); one frame and two wheels are parts in excess; 3 bicycles is the yield. Limiting Reactant and yield Calculations (cont’d) Example 13: How many moles of Fe3O4 can be obtained by reacting 16.8 g Fe with 10.0 g H2O? Which substance is the limiting reactant? Which substance is in excess? How much of the reactant in excess remains unreacted? Strategy: 1. Write and balance equation. 2. Calculate the number of moles of product for each reactant; 3. The reactant that gives the least moles of (the same!) product is the limiting reactant. 4. Find the amount of reactant in excess needed to react with the limiting reactant. Subtract this amount from the starting quantity to obtain the amount in excess. 5. Find the yield from the limiting reactant. Balanced equation: 3 Fe (s) + 4 H2O (g) Yield 1 mol Fe x from Fe: 16.8 g Fe x 55.85 g Fe limiting reactant 1 mol H2O x From H2O: 10.0 g H2O 18.02 g H O x 2 Reacted H2O 16.8 g Fe x Excess: 10.0 g – 7.01 g = 2.99 g H2O. 1 mol Fe x 55.85 g Fe Fe3O4 (s) + 4 H2 (g) 1 mol Fe3O4 yield = 0.100 mol Fe O . 3 4 3 mol Fe Least moles Fe3O4? 1 mol Fe3O4 4 mol H2O = 0.139 mol Fe3O4. 18.02 g H2O 4 mol H2O = 7.01 g H2O. x 1 mol H2O 3 mol Fe Answer: Yield is 0.100 mol Fe3O4, Fe is the limiting reactant, 2.99 g H2O is in excess. Percent Yield Calculations done so far assumed that the reaction gives maximum (100%) yield. Many reactions (especially organic) do not give the 100% yield, due to: side reactions, reversible reactions, product losses due to human factor. Theoretical yield: Amount calculated from the chemical equation. Actual yield: Amount obtained experimentally. Actual yield Percent yield: x 100 % Theor. yield Strategy: Find limiting reactant. Calculate theoretical yield. Calculate percent yield. Example 14: If 65.0 g CCl4 was prepared by CS2 + 3 Cl2 CCl4 + S2Cl2 reacting 100. g CS2 and 100. g of Cl2, calculate the percent yield. Molar masses: CS2: 76.15; Cl2: 70.90; CCl4: 153.81 g/mol 1 mol CS2 1 mol CCl4 100. g CS2 x x = 1.31 mol CCl4. 76.15 g CS2 1 mol CS2 1 mol Cl2 1 mol CCl4 x = 0.470 mol CCl4. 70.90 g Cl2 3 mol CS2 Limiting reactant 153.81 g CCl4 0.470 mol CCl4 x = 72.3 g CCl4. 1 mol CCl4 Theoretical yield 65.0 g CCl4 65.0 g CCl4 HW, Chp. 7: 1, 5, 15, 26, 33 x 100 % = 89.9 % Actual yield 72.3 g CCl4 Chp. 9: 3, 7, 13, 15, 23, 29 Percent yield 100. g Cl2 x