Chapter 5: Chemical Formula Relationships – The Mole Counting by

Chapter 5: Chemical Formula Relationships – The Mole

So far, we have considered elements and compounds at the atomic

(particulate) level. However, we can’t count or weigh atoms or compounds at the particulate level. We must be able to deal with them at the macroscopic level, that is, work with quantities that we can see and handle, i.e. weigh out.

Counting by Weighing

The Haber-Bosch reaction converts hydrogen and nitrogen gas into ammonia:

H

2

(g) + N

2

(g) → NH

3

(g)

Dalton showed that elements combine in fixed whole number ratios, so the relative numbers of atoms in a chemical reaction are important. A balanced equation tells us the relative numbers of molecules of reactants and products in a chemical reaction, e.g

3H

2

+ N

2

→ 2NH

3

I will need 3 molecules of hydrogen gas (6 H atoms) for every 1 molecule of nitrogen gas (2 N atoms).

3H

2

+ N

2

→ 2NH

3

3 1 2

30 10 20

300 100 200

3x10 6 1x10 6 2x10 6

3 million

18.066x10

23

1 million

6.022x10

23

2 million

12.044x10

23

3 moles 1 mole 2 mole

The word “mole” is the name

given to a specific number, just like we give names to many numbers:

1

Number or Count Name

12

24

144

Ream

1,000,000 (1 x 10 6 )

1,000,000,000 (1 x 10 9 )

1,000,000,000,000 (1 x 10 12 )

6.022 x 10

23

Mole

We cannot physically count molecules or atoms because they are far too small to count. So how do we measure them out?

• We weigh them – i.e. by mass measurement.

• Mass measurement substitutes for a count of the uncountable

This is how we already do it in the macro world, e.g. a carpenter needs a known number of nails to build a house. If you know how much a nail weighs, you can buy the nails by the pound and know pretty accurately how many you are getting. If you wanted 1000 jelly beans, the clerk at the candy store would not count out 1000 jelly beans. She would perhaps count out and weight 10 jelly beans (e.g. total = 50 g), divide that weight by 10 to determine the average weight of a single jelly bean (5.0 g). She would then multiply the average weight of a jelly bean by 1000 to get the weight of

1000 jelly beans (5.0 g/bean x 1000 beans = 5000 g.). She would proceed to weigh out 5000g of beans in order to get a count of a 1000 beans.

In the laboratory, even the smallest quantities we work with contain enormous numbers of molecules or atoms, numbers so large that they are virtually incomprehensible. So, we cannot count them out; we must weigh them.

How do we relate the weight of an atom to a count of atoms?

7.3 The Mole Concept: Counting by Weighing

Scientists chose a standard to compare all atoms to, and that standard is

Carbon. Specifically, a mole was defined as the number of atoms contained

2

in exactly 12 g of isotopically pure 12 exactly 12 g of 12

C. The number of atoms contained in

C was determined to be 6.02214 x 10 name given to this huge number, 6.022 x 10 23

23 atoms. Thus, the

, is a “mole”

So,

• 1 mole of

• 1 mole of

12

16

• 1 mole of 35

C atoms = 6.02214 x 10

O atoms = 6.02214 x 10

Cl atoms = 6.02214 x 10

23 atoms

23

23

atoms

atoms

• 1 mole of anything = 6.022 x 10 23 anything

A mole of anything contains a count of 6.022 x 10 23 .

Keep in mind that a mole is not a weight (mass)

, it is a count

, the name given to a number.

This number was also given a second name in honor of a famous scientist,

Avogadro. Thus, Avogadro’s number is 6.02214 x 10 23 . Avogadro’s number is a mole’s worth of anything; it is still a count equal to 6.022 x 10 23 of whatever is being counted.

Converting Counts to Weights (Mass)

The Atomic Mass Unit (amu):

Atoms are too small to be counted. Being able to convert a count (how many) to a mass (how much) is a fundamental concept in chemistry and one everyone must master.

Given that 12 g of 12 C = 6.022 x 10 23 atoms (exactly), one could calculate the mass of a single atom:

12 g 12 C

= 1.992647 x 10 -23 g / atom

6.02214 x 10 23 atoms

12 C

• 1 atom of 12 C = 1.992647 x 10 -23 g

3

To avoid working with such impossibly small numbers, a new unit was devised for this number, the atomic mass unit , abbreviated amu .

The atomic mass unit (amu) was defined as one 12 th the mass of a 12 C atom. Hence, by definition:

• 12 amu = the mass of a single atom of 12 C

• 12 amu = the atomic mass of

• 12 amu = 1.992647 x 10 -23 g

• 1 amu = 1/12 th the mass of a 12

= 1.6605391 x 10 -24 g

12 C

C atom = 1.992647 x 10 -23 g / 12

Can we calculate the mass of a proton and neutron?

Note that 1 amu expressed in grams can be shown, as a first approximation, to be essentially the mass of a single proton or neutron. For example:

• The mass of an atom is the sum of protons + neutrons

• Proton mass and neutron mass are essentially equal

12

12

C has 6 protons plus 6 neutrons for a total of 12

C has 12 P+N, and weighs 12 amu

Therefore:

• 1 proton = 1 amu

• 1 neutron = 1 amu

• (1.6605391 x 10 -24 g/amu) x 12 amu/atom = 1.992647 x 10 -23 g/atom

Note the use of the word “essentially” above. The mass of the proton, neutron, and electron are actually known to a high degree of accuracy, and should noted below that the mass of the proton and neutron are not exactly 1 amu, although they are extremely close. :

Particle

Proton

Neutron

Electron

Mass, g

1.673 x 10 -24

-24

Mass, amu

1.007276

1.675 x 10

0.0009 x 10 -24

1.008665

0.0005486

Thus, the mass of an atom calculated simply by adding up the actual mass of number of protons and electrons turns out to be greater than what is actually found.

Why is the actual atomic mass smaller that the sum of its parts ?

4

This difference, albeit extremely small, is highly important in understanding atoms. The mass difference is due to the nuclear binding energy required to overcome the repellent forces of the positive charges (proton) which are forced to come into close proximity in forming the nucleus. Where does this energy come from?

Consider Einstein’s famous equation relating mass and energy:

E = mc 2

Where E = energy; m = mass; c = a constant, the speed of light

Simply put, some of the particle mass is converted to nuclear energy, the energy required to form a stable nucleus, and hold everything together. This is the same nuclear energy which is released in nuclear reactions such as nuclear fission when the nuclei of atoms are broken apart.

Note that this nuclear binding energy mass is not a fixed fraction of the atom’s total mass; rather the nuclear binding energy is unique to each element, and the amount of particle mass converted to energy is also unique.

Hence, the mass of each element is not a simple multiple compared to each other element. The mass for each element must be experimentally determined.

Thus all elements have their atomic masses experimentally determined by comparison to carbon – 12 using a technique called mass spectrometry.

Atomic Mass

There is one additional complication to the number underneath the element’s symbol for atomic mass. If you look at the number underneath the symbol for carbon in the periodic table, that number is 12 (actually 12.01, but more about that shortly). This number is called the atomic mass number or shortened to atomic mass . It refers to the mass of a single atom of the element in atomic mass units (amu).

For comparison, consider the element magnesium, specifically the isotope magnesium – 24. We know that the mass number of 12 amu for the carbon isotope carbon – 12 is the sum of the mass of the protons and neutrons.

Since magnesium – 24 has twice as many particles as carbon – 12, the mass number for magnesium – 24 is 24 amu.

Likewise, the mass in amu (atomic mass units) of a single atom of any element in the Periodic table is called the atomic mass of the element. That

5

number is the subscript number written underneath the symbol of each element (see Table 8.1 below).

8–4 Copyright © Houghton Mifflin Company.All rights reserved.

How do we use this information?

Example:

Compute the number of moles and number of atoms in 10.0 g of Al

7.4 Molar Mass vs Atomic Mass

Now look again at the Periodic Table. What is the number underneath the element Carbon? We said that that number (12) represents the mass (in amu) of a single atom of carbon. That number can be referenced in a second way to give it an additional, more practical value.

We know that by definition that a mole of 12 C atoms weighs exactly 12 grams. Therefore, to measure out a mole’s worth of

12

C atoms, you would weigh out exactly 12.00 g of carbon-12. We refer to this number as the molar mass, i.e. the mass of a mole of atoms.

To summarize:

• 1 atom of 12 C = 12 amu

• 1 mole of 12

• 12 g of 12

C atoms = 12 g

C = 6.022 x 10 23 atoms

6

• Atomic masses allow us to convert weights into numbers of atoms

Example:

If our sample of carbon weighs 3.00 x 10 20 amu, we will have 2.50 x 10 19 atoms of carbon:

3.00

x 10 20 amu x

1 C atom

12.01

amu

= 2.50

x 10 19 C atoms

___________________________________

Look at other elements in the Periodic table. What do you see?

A mole is always the same number , but a mole of different substances will always have different masses because of different numbers of protons and neutrons.

Copyright © Houghton Mifflin Company.All rights reserved.

7

8–7

A $1000 in dollar bills and $1000 in dollar coins both are 1000 of each

(paper and coin), however, the mass of $1000 in bills compared to coins will be dramatically different. It’s the same for a mole of different elements.

The number of protons + neutrons is different for each element, therefore, the identical number of atoms of each element will have a different mass .

To summarize then, the number underneath the element in the periodic table gives you the mass of a single atom in amu, or the mass of a mole’s worth of atoms in grams. This number is known as both the atomic mass of an element, and also the molar mass of an element.

Why aren’t the mass numbers whole numbers?

Because of isotopes (see chapter on atomic theory / nuclear structure).

Isotopes:

Consider: if one mole of 12 C weighs exactly 12 g, why is the subscript number 12.01 rather than exactly 12.00?

The answer is: Because the element in the Periodic table is a mixture of the isotopes 12 C, 13 C, and 14 C . The number 12.01 is a weighted average of all three isotopes of Carbon. This is the number we will work with in most chemistry problems.

Other examples: look at the subscript for nitrogen; look at hydrogen, look at chlorine. The number under each element refers to the mass (in amu) of a single atom of that element, or the mass (in grams) of a moles worth of atoms.

Working with Moles:

How do we use this information? Converting between moles (how many) and mass (how much).

Example:

Compute the number of moles and number of atoms in 10.0 g of Al

• Use the Periodic Table to determine the mass of 1 mole of Al

1 mole Al = 26.98 g

8

• Use this as a conversion factor for grams-to-moles

10.0

g Al x

1 mol

26.98

Al g

= 0.371

mol Al

• Use Avogadro’s Number to determine the number of atoms in 1 mole

1 mole Al = 6.02 x 10

23

atoms

• Use this as a conversion factor for moles-to-atoms

0.371

mol Al x

6.02

x 10

1 mol

23 atoms

Al

= 2.23

x 10 23 Al atoms

Problems : Mole Calculation Worksheet.doc , problems 1 – 8

7.5 Conversion Among Mass, Number of Moles, and Number of Units

Molar Mass of Molecules

What is the molar mass of a molecule, e.g. methane (CH

4

If :

)?

• The mass of a mole of carbon atoms is 12.01 g.

• The mass of a mole of hydrogen atoms is 1.008 g.

9

Figure 8.3: Various numbers of methane molecules showing their constituent atoms.

Copyright © Houghton Mifflin Company.All rights reserved.

8–11

The mass of a mole of CH

4

( the molar mass ) would be:

12.01 g. carbon + (1.008 g / H atom x 4 H atoms) = 16. 042 g / mole CH

4

Therefore:

• 1 mole of CH

4

molecules contains 1 mole of C (12.01g.) and 4 moles of H atoms (4.032 g.)

• 1 mole of CH

4

molecules weighs 16.042 g

We call this the molar mass – the mass of a mole’s worth of molecules.

This is also called the molecular weight .

Problems : Mole Calculation Worksheet.doc, problems 9 – 23

Problems : Molar Mass Calculations Worksheet.doc

Calculating Moles from Mass

Questions :

• What is the molar mass for C

10

H

6

0

3

?

10

• 1.56 g of C

10

H

6

0

3

= ______________ moles of C

10

H

6

0

3

?

Problems : Grams Moles Worksheet.doc

Molar mass vs Molecular mass vs Formula Mass

Molecular Mass would be the mass of a single molecule of CH

4

in amu.

Thus, the molecular mass would be the same number as the molar mass, but the units are different: CH

4

= 16.042 amu / molecule

Formula Mass

The molecular mass and formula mass mean exactly the same and are sometimes used interchangeably for molecular compounds, e.g.

• the molecular formula or formula unit for methane = CH

4

• the molecular mass = 16.042 amu / molecule

• the formula mass = 16.042 amu / formula unit

• the gram formula mass = 16.042 g / mole of formula units

However, for ionic compounds , only the term formula mass is employed, e.g.

• the formula unit for sodium chloride is NaCl

• the formula mass for NaCl = 58.5 amu / formula unit

• the gram formula mass for NaCl = 58.5 g / mole of formula units

• the molar mass for NaCl = 58.5 g / mole of formula units

This is because ionic compounds are a collection of ions arranged in an enormous array of alternating positive ions and negative ions. Ionic compounds are represented by the lowest common denominator ratio of the ions

Molar Mass

The molar mass (also called the molecular weight or gram formula weight) is the mass in grams of a mole of the atoms or molecules.

• The molar mass for the nitrogen atom, N = 14.0067 g

• The molar mass for nitrogen molecule, N

2

• The molar mass for ammonium molecule, NH

(g) = 28. 0134 g

3

(g) = 17.0304g

11

Questions :

• What is the formula mass for Na

2

SO

4

?

• 300.0 g Na

2

SO

4

of = ____________ moles of Na

2

SO

4

?

Practice in calculating formula mass. See interactive tutorial: http://chemistry.alanearhart.org/Tutorials/Stoichiometry/index.html

Calculating Molecules from Moles

Question: Isopentyl acetate formula = C

7

H

• 1 g C

7

H

12

12

O

2

O

2

= ______________ molecules of C

7

H

12

O

2

?

• 1 g C

7

H

12

O

2

= ______________ moles of C

7

H

12

O

2

?

How do we use all of this?

Consider the following reaction:

2H

2

# of Molecules

(g)

Multiply by

Avogadro’s #

# of Moles

# of grams

+ O

2

(g) → 2H

2

O (l)

12

Returning to the Haber-Bosch reaction:

3H

2

+ N

2

→ 2NH

3

If we want to make 2 moles of NH

3

, how much H

2

and N

2

must we weigh out? From the balanced equation, we see:

Need 3 moles of H

2

• 1 atom of H = 1.008 amu

• 1 molecule of H

2

= 2.016 amu

• 1 mol of H

• 3 mol of H

2

2

molecules = 2.016 g

molecules = 6.048 g

Need 1 mole of N

2

• 1 atom of N = 14.01 amu

• 1 molecule of N

2

• 1 mol of N

2

= 28.16 amu

molecules = 28.16 g

How many grams of NH

3

can you make?

How many molecules of NH

3

is this many grams?

7.6 Percent Composition of Molecules

The mass of a mole of CH

4

( the molar mass ) is:

• I mole of CH

4

contains one mole of C and 4 moles of H

• I mole of C atoms = 12.01 g

• 4 moles of H atoms = 4 x 1.008g/mole of H = 4.032 g.

• Molar mass = 12.01g/mole + 4.032g/mole = 16.032 g/mole

The mass % of a given element = the mass of the element in 1 mole / molar mass of the molecule

Therefore, the mass percent composition of this molecule is:

13

12.01 g. carbon + (1.008 g. / H atom x 4 H atoms) = 16. 042 g. / mole CH

4

• % C = (12.01 g / 16.042 g) x 100 = 74.87 %

• % H = (4.032g / 16.042 g) x 100 = 25.13 %

7.7 Empirical Formulas and Molecular Formulas

In determining the molecular formula of compounds, three pieces of information must be established:

• Which elements are present in a sample of the molecule

• The % composition of each element in the sample

• The mass of the sample analyzed

Problem:

• A sample of an unknown compound is weighed out = 0.2015 g

• Analysis reveals only C, H, O present

• The 0.2015 g sample was determined to contain 0.0806 g C, 0.01353 g H, 0.1074 g O

What is the molecular formula for this compound?

The molecular formula is the number of atoms (expressed as whole numbers) of each element in a molecule. We begin with the empirical formula or simplest ratio of the atoms in the molecule before considering the molecular formula.

Given the grams of the atoms, we must first convert grams to moles, i.e. how many of each:

Carbon = 0.0806 g x (1mole C / 12.01 g C) = 0.00671 mol C atoms

Hydrogen = 0.01353 g x (1 mole H / 1.008 g H) = 0.01342 mol H atoms

Oxygen = 0.1074 g x (1 mole O / 16.00 g O) = 0.006723 mol O atoms

Now we can calculate a simple whole number ratio of the elements relative to each other. Taking 0.00671 as the lowest common denominator for these three numbers, we find the following:

Carbon = 0.00671 mol C atoms / 0.00671 = 1.00

Hydrogen = 0.01342 mol H atoms / 0.00671 = 2.00

14

Oxygen = 0.006723 mol O atoms / 0.0067 = 1.00

Thus, these three elements are combined in a ratio of

• CH

2

O

• 1:2:1

CH

2

O represents the empirical formula , or lowest common denominator ratio.

Empirical Formula Calculated from Percent Composition

Determine the empirical formula of acetic anhydride if its percent composition is 47% Carbon, 47% Oxygen and 6.0% Hydrogen.

If given grams of each rather than % of each, one would proceed as above by converting grams to moles.

Recall that the formula is a whole number ratio of the elements present, so one must convert from % composition to numbers of atoms of each element. This will require passing through grams in order to convert to numbers of atoms.

The process is as follows:

• Assume you have 100 g of the compound

• Use the % to convert % composition to grams of each element

• Convert the grams of each element to moles

• Divide by the lowest common denominator to establish the whole number ratio of atoms in the empirical formula

47% C x 100g = 47g

47% O x 100g = 47g

6.0% H x 100g = 6g

47g x (1 mol C / 12.01g) = 3.91 mol

47g x (1 mol O / 16.00g) = 2.94 mol

6g x (1 mol H / 1.008g) = 5.59 mol

Dividing by the lowest common denominator, 2.94, the empirical formula would be: C

1.3

H

2

O.

Note however, that one cannot have fractional atoms. Therefore one must find a factor to multiply these ratios to give whole numbers. Multiplying the subscripts by 3 and rounding gives the empirical formula C

4

H

6

O

3

.

15

Problem:

The composition of an unknown compound is:

H 3.09%

P 31.60%

O 65.31%

• What is the empirical formula?

7.8 Calculation of Molecular Formulas

Molecular formula from empirical formula:

Numerous compounds have the same empirical formula, e.g.

CH

2

O

C

C

3

C

6

2

H

H

6

H

4

12

O

2

O

3

O

6

All of these compounds have a CHO ratio of 1:2:1. Thus, CH

2

O

is the empirical formula, i.e. the lowest common denominator ratio.

The molecular formula will be a multiple of the empirical formula.

Extrapolating the empirical formula to the molecular formula requires one more piece of information, namely the molar mass.

Consider : If the molar mass for the molecule in the previous problem was determined to be 180 g, then we would identify this compound as C

6

H

12

O

6

.

This was determined as follows:

• CH

2

O = 30g / mol, the molar mass of the empirical formula

However, the mass of the actual compound is 180g.

• 180g /30g = 6

• Six times heavier gives us (CH

2

O)

6

or the formula C

6

H

12

O

6

.

Another example:

16

A compound (benzopyrene) with a molar mass of 252 g, was found to have an empirical formula of C

5

H

• The formula mass of C

3

.

5

H

3

= 63 g.

• 252 g / 63 g = 4.0

• (C

5

H

3

)

4

= molar mass of 252 g

• Molecular formula = C

20

H

12

Molecular formula from percent composition:

Problem:

The composition of an unknown compound is:

C 85.7%

H 14.3%

• What is the empirical formula?

• What is the formula mass?

The actual molar mass was determined to be 84g.

• What is the molecular formula?

17