2.

3: QUANTIFYING
CHEMICALS
 CHAPTER OVERVIEW

2.3: Quantifying Chemicals

Unit 4 Objectives

By the end of this unit, you will be able to:

Describe the arrangement of atoms and ions in crystalline structures
Calculate formula masses for covalent and ionic compounds
Explain the relation between mass, moles, and numbers of atoms or molecules, and perform calculations deriving these
quantities from one another
Compute the percent composition of a compound
Determine the empirical formula of a compound
Determine the molecular formula of a compound

2.3.0: Unit Cells

2.3.1: Unit Cells (Problems)
2.3.2: Formula Mass, Percent Composition, and the Mole
2.3.3: Formula Mass, Percent Composition, and the Mole (Problems)
2.3.4: Empirical and Molecular Formulas
2.3.5: Empirical and Molecular Formulas (Problems)

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1
2.3.0: Unit Cells
Learning Objectives
Describe the arrangement of atoms and ions in crystalline structures

Giant Ionic Structures or Lattices | Prop…

Prop…

Video 2.3.0.1 : A preview of giant ionic solids and crystalline structures.

Over 90% of naturally occurring and man-made solids are crystalline. Most solids form with a regular arrangement of their
particles because the overall attractive interactions between particles are maximized, and the total intermolecular energy is
minimized, when the particles pack in the most efficient manner. The regular arrangement at an atomic level is often reflected at a
macroscopic level. In this module, we will explore some of the details about the structures of metallic and ionic crystalline solids,
and learn how these structures are determined experimentally.

The Structures of Metals

We will begin our discussion of crystalline solids by considering elemental metals, which are relatively simple because each
contains only one type of atom. A pure metal is a crystalline solid with metal atoms packed closely together in a repeating pattern.
Some of the properties of metals in general, such as their malleability and ductility, are largely due to having identical atoms
arranged in a regular pattern. The different properties of one metal compared to another partially depend on the sizes of their atoms
and the specifics of their spatial arrangements. We will explore the similarities and differences of four of the most common metal
crystal geometries in the sections that follow.

Unit Cells of Metals

The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is
referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure
then consists of this unit cell repeating in three dimensions, as illustrated in Figure 2.3.0.1.

Figure 2.3.0.1 : A unit cell shows the locations of lattice points repeating in all directions.
Let us begin our investigation of crystal lattice structure and unit cells with the most straightforward structure and the most basic
unit cell. To visualize this, imagine taking a large number of identical spheres, such as tennis balls, and arranging them uniformly in
a container. The simplest way to do this would be to make layers in which the spheres in one layer are directly above those in the

2.3.0.1 https://chem.libretexts.org/@go/page/210637
layer below, as illustrated in Figure 2.3.0.2. This arrangement is called simple cubic structure, and the unit cell is called the simple
cubic unit cell or primitive cubic unit cell.

Figure 2.3.0.2 : .When metal atoms are arranged with spheres in one layer directly above or below spheres in another layer, the
lattice structure is called simple cubic. Note that the spheres are in contact.
In a simple cubic structure, the spheres are not packed as closely as they could be, and they only “fill” about 52% of the volume of
the container. This is a relatively inefficient arrangement, and only one metal (polonium, Po) crystallizes in a simple cubic
structure. As shown in Figure 2.3.0.3, a solid with this type of arrangement consists of planes (or layers) in which each atom
contacts only the four nearest neighbors in its layer; one atom directly above it in the layer above; and one atom directly below it in
the layer below. The number of other particles that each particle in a crystalline solid contacts is known as its coordination number.
For a polonium atom in a simple cubic array, the coordination number is, therefore, six.

Figure 2.3.0.3 : An atom in a simple cubic lattice structure contacts six other atoms, so it has a coordination number of six.
In a simple cubic lattice, the unit cell that repeats in all directions is a cube defined by the centers of eight atoms, as shown in
Figure 2.3.0.4. Atoms at adjacent corners of this unit cell contact each other, so the edge length of this cell is equal to two atomic
radii, or one atomic diameter. A cubic unit cell contains only the parts of these atoms that are within it. Since an atom at a corner of
a simple cubic unit cell is contained by a total of eight unit cells, only one-eighth of that atom is within a specific unit cell. And
1
since each simple cubic unit cell has one atom at each of its eight “corners,” there is 8 × =1 atom within one simple cubic unit
8
cell.

Figure 2.3.0.4 : A simple cubic lattice unit cell contains one-eighth of an atom at each of its eight corners, so it contains one
atom total.
Most metal crystals are one of the four major types of unit cells. For now, we will focus on the three cubic unit cells: simple cubic
(which we have already seen), body-centered cubic unit cell, and face-centered cubic unit cell—all of which are illustrated in
Figure 2.3.0.5. (Note that there are actually seven different lattice systems, some of which have more than one type of lattice, for a
total of 14 different types of unit cells. We leave the more complicated geometries for later in this module.)

2.3.0.2 https://chem.libretexts.org/@go/page/210637
 Figure 2.3.0.5 : Cubic unit cells of metals show (in the upper figures) the locations of lattice points and (in the lower figures)
metal atoms located in the unit cell.
Some metals crystallize in an arrangement that has a cubic unit cell with atoms at all of the corners and an atom in the center, as
shown in Figure 2.3.0.6. This is called a body-centered cubic (BCC) solid. Atoms in the corners of a BCC unit cell do not contact
each other but contact the atom in the center. A BCC unit cell contains two atoms: one-eighth of an atom at each of the eight
1
corners (8 × =1 atom from the corners) plus one atom from the center. Any atom in this structure touches four atoms in the
8
layer above it and four atoms in the layer below it. Thus, an atom in a BCC structure has a coordination number of eight.

Figure 2.3.0.6 : In a body-centered cubic structure, atoms in a specific layer do not touch each other. Each atom touches four
atoms in the layer above it and four atoms in the layer below it.
Atoms in BCC arrangements are much more efficiently packed than in a simple cubic structure, occupying about 68% of the total
volume. Isomorphous metals with a BCC structure include K, Ba, Cr, Mo, W, and Fe at room temperature. (Elements or
compounds that crystallize with the same structure are said to be isomorphous.)
Many other metals, such as aluminum, copper, and lead, crystallize in an arrangement that has a cubic unit cell with atoms at all of
the corners and at the centers of each face, as illustrated in Figure 2.3.0.7. This arrangement is called a face-centered cubic (FCC)
1
solid. A FCC unit cell contains four atoms: one-eighth of an atom at each of the eight corners (8 × =1 atom from the corners)
8
1
and one-half of an atom on each of the six faces (6 × =3 atoms from the faces). The atoms at the corners touch the atoms in the
2
centers of the adjacent faces along the face diagonals of the cube. Because the atoms are on identical lattice points, they have
identical environments.

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 Figure 2.3.0.7 :A face-centered cubic solid has atoms at the corners and, as the name implies, at the centers of the faces of its
unit cells.
Atoms in an FCC arrangement are packed as closely together as possible, with atoms occupying 74% of the volume. This structure
is also called cubic closest packing (CCP). In CCP, there are three repeating layers of hexagonally arranged atoms. Each atom
contacts six atoms in its own layer, three in the layer above, and three in the layer below. In this arrangement, each atom touches 12
near neighbors, and therefore has a coordination number of 12. The fact that FCC and CCP arrangements are equivalent may not be
immediately obvious, but why they are actually the same structure is illustrated in Figure 2.3.0.8. Table 2.3.0.1 summarizes the
important characteristics of the three major unit cell types.

Figure 2.3.0.8 : A CCP arrangement consists of three repeating layers (ABCABC…) of hexagonally arranged atoms. Atoms in a
CCP structure have a coordination number of 12 because they contact six atoms in their layer, plus three atoms in the layer above
and three atoms in the layer below. By rotating our perspective, we can see that a CCP structure has a unit cell with a face
containing an atom from layer A at one corner, atoms from layer B across a diagonal (at two corners and in the middle of the face),
and an atom from layer C at the remaining corner. This is the same as a face-centered cubic arrangement.

Cubic Cell Name Atoms per Unit Cell Structure Coordination Number

simple cubic (sc) 1 6

face-centered cubic 4 12

body-centered cubic 2 8

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 Table 2.3.0.1 : A summary of the important characteristics of the three main types of unit cells.
Because closer packing maximizes the overall attractions between atoms and minimizes the total intermolecular energy, the atoms
in most metals pack in this manner. We find two types of closest packing in simple metallic crystalline structures: CCP, which we
have already encountered, and hexagonal closest packing (HCP) shown in Figure 2.3.0.9. Both consist of repeating layers of
hexagonally arranged atoms. In both types, a second layer (B) is placed on the first layer (A) so that each atom in the second layer
is in contact with three atoms in the first layer. The third layer is positioned in one of two ways. In HCP, atoms in the third layer are
directly above atoms in the first layer (i.e., the third layer is also type A), and the stacking consists of alternating type A and type B
close-packed layers (i.e., ABABAB⋯). In CCP, atoms in the third layer are not above atoms in either of the first two layers (i.e.,
the third layer is type C), and the stacking consists of alternating type A, type B, and type C close-packed layers (i.e.,
ABCABCABC⋯). About two–thirds of all metals crystallize in closest-packed arrays with coordination numbers of 12. Metals
that crystallize in an HCP structure include Cd, Co, Li, Mg, Na, and Zn, and metals that crystallize in a CCP structure include Ag,
Al, Ca, Cu, Ni, Pb, and Pt.

Figure 2.3.0.9 : In both types of closest packing, atoms are packed as compactly as possible. Hexagonal closest packing consists
of two alternating layers (ABABAB…). Cubic closest packing consists of three alternating layers (ABCABCABC…).
In general, a unit cell is defined by the lengths of three axes (a, b, and c) and the angles (α, β, and γ) between them, as illustrated in
Figure 2.3.0.10. The axes are defined as being the lengths between points in the space lattice. Consequently, unit cell axes join
points with identical environments.

Figure 2.3.0.10 : A unit cell is defined by the lengths of its three axes (a, b, and c) and the angles (α, β, and γ) between the axes.
There are seven different lattice systems, some of which have more than one type of lattice, for a total of fourteen different unit
cells, which have the shapes shown in Figure 2.3.0.11.

2.3.0.5 https://chem.libretexts.org/@go/page/210637
 Figure 2.3.0.11 :There are seven different lattice systems and 14 different unit cells.

Unit Cells of Ionic Compounds

Many ionic compounds crystallize with cubic unit cells, and we will use these compounds to describe the general features of ionic
structures. When an ionic compound is composed of cations and anions of similar size in a 1:1 ratio, it typically forms a simple
cubic structure. Cesium chloride, CsCl, (Figure 2.3.0.12) is an example of this, with Cs+ and Cl− having radii of 174 pm and 181
pm, respectively. We can think of this as chloride ions forming a simple cubic unit cell, with a cesium ion in the center; or as
cesium ions forming a unit cell with a chloride ion in the center; or as simple cubic unit cells formed by Cs+ ions overlapping unit
cells formed by Cl− ions. Cesium ions and chloride ions touch along the body diagonals of the unit cells. One cesium ion and one
chloride ion are present per unit cell, giving the l:l stoichiometry required by the formula for cesium chloride. Note that there is no
lattice point in the center of the cell, and CsCl is not a BCC structure because a cesium ion is not identical to a chloride ion.
Three images are shown. The first image shows a cube with black dots at each corner and a red dot in the center. This cube is stacked with seven others that are not colored to form a larger cube. The second image is
composed of eight spheres that are grouped together to form a cube with one smaller sphere in the center. The name under this image reads “Body-centered simple cubic structure.” The third image shows five horizontal
layers of purple spheres with layers of smaller green spheres in between.

Figure 2.3.0.12 : Ionic compounds with similar-sized cations and anions, such as CsCl, usually form a simple cubic structure.
They can be described by unit cells with either cations at the corners or anions at the corners.
We have said that the location of lattice points is arbitrary. This is illustrated by an alternate description of the CsCl structure in
which the lattice points are located in the centers of the cesium ions. In this description, the cesium ions are located on the lattice

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points at the corners of the cell, and the chloride ion is located at the center of the cell. The two unit cells are different, but they
describe identical structures.
When an ionic compound is composed of a 1:1 ratio of cations and anions that differ significantly in size, it typically crystallizes
with an FCC unit cell, like that shown in Figure 2.3.0.13. Sodium chloride, NaCl, is an example of this, with Na+ and Cl− having
radii of 102 pm and 181 pm, respectively. We can think of this as chloride ions forming an FCC cell, with sodium ions located in
the octahedral holes in the middle of the cell edges and in the center of the cell. The sodium and chloride ions touch each other
along the cell edges. The unit cell contains four sodium ions and four chloride ions, giving the 1:1 stoichiometry required by the
formula, NaCl.
Three images are shown. The first image shows a cube with black dots at each corner and a red dot in the center. This cube is stacked with seven others that are not colored to form a larger cube. The second image is
composed of eight spheres that are grouped together to form a cube with one much larger sphere in the center. The name under this image reads “Body-centered simple cubic structure.” The third image shows seven
horizontal layers of alternating purple and green spheres that are slightly offset with one another and form a large cube.

Figure 2.3.0.13 : Ionic compounds with anions that are much larger than cations, such as NaCl, usually form an FCC structure.
They can be described by FCC unit cells with cations in the octahedral holes.
The cubic form of zinc sulfide, zinc blende, also crystallizes in an FCC unit cell, as illustrated in Figure 2.3.0.14. This structure
contains sulfide ions on the lattice points of an FCC lattice. (The arrangement of sulfide ions is identical to the arrangement of
chloride ions in sodium chloride.) The radius of a zinc ion is only about 40% of the radius of a sulfide ion, so these small Zn2+ ions
are located in alternating tetrahedral holes, that is, in one half of the tetrahedral holes. There are four zinc ions and four sulfide ions
in the unit cell, giving the empirical formula ZnS.

Figure 2.3.0.14 : ZnS, zinc sulfide (or zinc blende) forms an FCC unit cell with sulfide ions at the lattice points and much smaller
zinc ions occupying half of the tetrahedral holes in the structure.
A calcium fluoride unit cell, like that shown in Figure 2.3.0.15, is also an FCC unit cell, but in this case, the cations are located on
the lattice points; equivalent calcium ions are located on the lattice points of an FCC lattice. All of the tetrahedral sites in the FCC
array of calcium ions are occupied by fluoride ions. There are four calcium ions and eight fluoride ions in a unit cell, giving a
calcium:fluorine ratio of 1:2, as required by the chemical formula, CaF2. Close examination of Figure 2.3.0.17 will reveal a simple
cubic array of fluoride ions with calcium ions in one half of the cubic holes. The structure cannot be described in terms of a space
lattice of points on the fluoride ions because the fluoride ions do not all have identical environments. The orientation of the four
calcium ions about the fluoride ions differs.

Figure 2.3.0.15 : Calcium fluoride, CaF2, forms an FCC unit cell with calcium ions (green) at the lattice points and fluoride ions
(red) occupying all of the tetrahedral sites between them.

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Summary
The structures of crystalline metals and simple ionic compounds can be described in terms of packing of spheres. Metal atoms can
pack in hexagonal closest-packed structures, cubic closest-packed structures, body-centered structures, and simple cubic structures.
The anions in simple ionic structures commonly adopt one of these structures, and the cations occupy the spaces remaining
between the anions. Small cations usually occupy tetrahedral holes in a closest-packed array of anions. Larger cations usually
occupy octahedral holes. Still larger cations can occupy cubic holes in a simple cubic array of anions. The structure of a solid can
be described by indicating the size and shape of a unit cell and the contents of the cell.

Glossary
body-centered cubic (BCC) solid
crystalline structure that has a cubic unit cell with lattice points at the corners and in the center of the cell

body-centered cubic unit cell

simplest repeating unit of a body-centered cubic crystal; it is a cube containing lattice points at each corner and in the center of
the cube

coordination number
number of atoms closest to any given atom in a crystal or to the central metal atom in a complex

cubic closest packing (CCP)

crystalline structure in which planes of closely packed atoms or ions are stacked as a series of three alternating layers of
different relative orientations (ABC)

face-centered cubic (FCC) solid

crystalline structure consisting of a cubic unit cell with lattice points on the corners and in the center of each face

face-centered cubic unit cell

simplest repeating unit of a face-centered cubic crystal; it is a cube containing lattice points at each corner and in the center of
each face

hexagonal closest packing (HCP)

crystalline structure in which close packed layers of atoms or ions are stacked as a series of two alternating layers of different
relative orientations (AB)

hole
(also, interstice) space between atoms within a crystal

isomorphous
possessing the same crystalline structure

octahedral hole
open space in a crystal at the center of six particles located at the corners of an octahedron

simple cubic unit cell

(also, primitive cubic unit cell) unit cell in the simple cubic structure

simple cubic structure

crystalline structure with a cubic unit cell with lattice points only at the corners

space lattice
all points within a crystal that have identical environments

tetrahedral hole
tetrahedral space formed by four atoms or ions in a crystal

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unit cell
smallest portion of a space lattice that is repeated in three dimensions to form the entire lattice

Contributors and Attributions

Paul Flowers (University of North Carolina - Pembroke), Klaus Theopold (University of Delaware) and Richard Langley
(Stephen F. Austin State University) with contributing authors. Textbook content produced by OpenStax College is licensed
under a Creative Commons Attribution License 4.0 license. Download for free at http://cnx.org/contents/85abf193-
[email protected]).
Adelaide Clark, Oregon Institute of Technology
Fuse School, Open Educational Resource free of charge, under a Creative Commons License: Attribution-NonCommercial CC
BY-NC (View License Deed: https://creativecommons.org/licenses/by-nc/4.0/)

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2.3.1: Unit Cells (Problems)
PROBLEM 2.3.1.1

Describe the crystal structure of iron, which crystallizes with two equivalent metal atoms in a cubic unit cell.

Answer
The structure of this low-temperature form of iron (below 910 °C) is body-centered cubic. There is one-eighth atom at each
of the eight corners of the cube and one atom in the center of the cube.

PROBLEM 2.3.1.2

Describe the crystal structure of Pt, which crystallizes with four equivalent metal atoms in a cubic unit cell.

Answer
This structure of platinum is a face-centered cubic. There is one-eighth atom at each of the eight corners of the cube and
one-half atom on each of the six faces of the cube.

PROBLEM 2.3.1.3

What is the coordination number of a chromium atom in the body-centered cubic structure of chromium?

Answer
eight

PROBLEM 2.3.1.4

What is the coordination number of an aluminum atom in the face-centered cubic structure of aluminum?

Answer
12

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Contributors and Attributions

Paul Flowers (University of North Carolina - Pembroke), Klaus Theopold (University of Delaware) and Richard Langley
(Stephen F. Austin State University) with contributing authors. Textbook content produced by OpenStax College is licensed
under a Creative Commons Attribution License 4.0 license. Download for free at http://cnx.org/contents/85abf193-
[email protected]).
Adelaide Clark, Oregon Institute of Technology

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Think one of the answers above is wrong? Let us know here.

2.3.1: Unit Cells (Problems) is shared under a not declared license and was authored, remixed, and/or curated by LibreTexts.

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2.3.2: Formula Mass, Percent Composition, and the Mole
Learning Objectives
Calculate formula masses for covalent and ionic compounds
Define the amount unit mole and the related quantity Avogadro’s number
Explain the relation between mass, moles, and numbers of atoms or molecules, and perform calculations deriving these
quantities from one another
Compute the percent composition of a compound

We can argue that modern chemical science began when scientists started exploring the quantitative as well as the qualitative
aspects of chemistry. For example, Dalton’s atomic theory was an attempt to explain the results of measurements that allowed him
to calculate the relative masses of elements combined in various compounds. Understanding the relationship between the masses of
atoms and the chemical formulas of compounds allows us to quantitatively describe the composition of substances.

Formula Mass
In an earlier chapter, we described the development of the atomic mass unit, the concept of average atomic masses, and the use of
chemical formulas to represent the elemental makeup of substances. These ideas can be extended to calculate the formula mass of a
substance by summing the average atomic masses of all the atoms represented in the substance’s formula.

Formula Mass for Covalent Substances

For covalent substances, the formula represents the numbers and types of atoms composing a single molecule of the substance;
therefore, the formula mass may be correctly referred to as a molecular mass. Consider chloroform (CHCl3), a covalent compound
once used as a surgical anesthetic and now primarily used in the production of tetrafluoroethylene, the building block for the “anti-
stick” polymer, Teflon. The molecular formula of chloroform indicates that a single molecule contains one carbon atom, one
hydrogen atom, and three chlorine atoms. The average molecular mass of a chloroform molecule is therefore equal to the sum of
the average atomic masses of these atoms. Figure 2.3.2.1 outlines the calculations used to derive the molecular mass of chloroform,
which is 119.37 amu.

Figure 2.3.2.1 : The average mass of a chloroform molecule, CHCl3, is 119.37 amu, which is the sum of the average atomic
masses of each of its constituent atoms. The model shows the molecular structure of chloroform.
Likewise, the molecular mass of an aspirin molecule, C9H8O4, is the sum of the atomic masses of nine carbon atoms, eight
hydrogen atoms, and four oxygen atoms, which amounts to 180.15 amu (Figure 2.3.2.2).

Figure 2.3.2.2 : The average mass of an aspirin molecule is 180.15 amu. The model shows the molecular structure of aspirin,
C9H8O4.

2.3.2.1 https://chem.libretexts.org/@go/page/210639
 Example 2.3.2.1: Computing Molecular Mass for a Covalent Compound

Ibuprofen, C13H18O2, is a covalent compound and the active ingredient in several popular nonprescription pain medications,
such as Advil and Motrin. What is the molecular mass (amu) for this compound?
Solution
Molecules of this compound are comprised of 13 carbon atoms, 18 hydrogen atoms, and 2 oxygen atoms. Following the
approach described above, the average molecular mass for this compound is therefore:

Exercise 2.3.2.1

Acetaminophen, C8H9NO2, is a covalent compound and the active ingredient in several popular nonprescription pain
medications, such as Tylenol. What is the molecular mass (amu) for this compound?

Answer
151.16 amu

Formula Mass for Ionic Compounds

Ionic compounds are composed of discrete cations and anions combined in ratios to yield electrically neutral bulk matter. The
formula mass for an ionic compound is calculated in the same way as the formula mass for covalent compounds: by summing the
average atomic masses of all the atoms in the compound’s formula. Keep in mind, however, that the formula for an ionic compound
does not represent the composition of a discrete molecule, so it may not correctly be referred to as the “molecular mass.”
As an example, consider sodium chloride, NaCl, the chemical name for common table salt. Sodium chloride is an ionic compound
composed of sodium cations, Na+, and chloride anions, Cl−, combined in a 1:1 ratio. The formula mass for this compound is
computed as 58.44 amu (Figure 2.3.2.3).

Figure 2.3.2.3 : Table salt, NaCl, contains an array of sodium and chloride ions combined in a 1:1 ratio. Its formula mass is
58.44 amu.
Note that the average masses of neutral sodium and chlorine atoms were used in this computation, rather than the masses for
sodium cations and chlorine anions. This approach is perfectly acceptable when computing the formula mass of an ionic
compound. Even though a sodium cation has a slightly smaller mass than a sodium atom (since it is missing an electron), this
difference will be offset by the fact that a chloride anion is slightly more massive than a chloride atom (due to the extra electron).
Moreover, the mass of an electron is negligibly small with respect to the mass of a typical atom. Even when calculating the mass of
an isolated ion, the missing or additional electrons can generally be ignored, since their contribution to the overall mass is
negligible, reflected only in the nonsignificant digits that will be lost when the computed mass is properly rounded. The few
exceptions to this guideline are very light ions derived from elements with precisely known atomic masses.

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 Example 2.3.2.2: Computing Formula Mass for an Ionic Compound

Aluminum sulfate, Al2(SO4)3, is an ionic compound that is used in the manufacture of paper and in various water purification
processes. What is the formula mass (amu) of this compound?
Solution
The formula for this compound indicates it contains Al3+ and SO42− ions combined in a 2:3 ratio. For purposes of computing a
formula mass, it is helpful to rewrite the formula in the simpler format, Al2S3O12. Following the approach outlined above, the
formula mass for this compound is calculated as follows:

Exercise 2.3.2.2

Calcium phosphate, Ca3(PO4)2, is an ionic compound and a common anti-caking agent added to food products. What is the
formula mass (amu) of calcium phosphate?

Answer
310.18 amu

The Mole
The identity of a substance is defined not only by the types of atoms or ions it contains, but by the quantity of each type of atom or
ion. For example, water, H2O, and hydrogen peroxide, H2O2, are alike in that their respective molecules are composed of hydrogen
and oxygen atoms. However, because a hydrogen peroxide molecule contains two oxygen atoms, as opposed to the water molecule,
which has only one, the two substances exhibit very different properties. Today, we possess sophisticated instruments that allow the
direct measurement of these defining microscopic traits; however, the same traits were originally derived from the measurement of
macroscopic properties (the masses and volumes of bulk quantities of matter) using relatively simple tools (balances and
volumetric glassware). This experimental approach required the introduction of a new unit for amount of substances, the mole,
which remains indispensable in modern chemical science.
The mole is an amount unit similar to familiar units like pair, dozen, gross, etc. It provides a specific measure of the number of
atoms or molecules in a bulk sample of matter. A mole is defined as the amount of substance containing the same number of
discrete entities (such as atoms, molecules, and ions) as the number of atoms in a sample of pure 12C weighing exactly 12 g. One
Latin connotation for the word “mole” is “large mass” or “bulk,” which is consistent with its use as the name for this unit. The
mole provides a link between an easily measured macroscopic property, bulk mass, and an extremely important fundamental
property, number of atoms, molecules, and so forth.
The number of entities composing a mole has been experimentally determined to be 6.02214179 × 1023, a fundamental constant
named Avogadro’s number (NA) or the Avogadro constant in honor of Italian scientist Amedeo Avogadro. This constant is properly
reported with an explicit unit of “per mole,” a conveniently rounded version being 6.022 × 1023 /mol.

2.3.2.3 https://chem.libretexts.org/@go/page/210639
 What Is Avogadro's Number - The Mole |…
|…

Video 2.3.2.1 : What is Avogadro's Number?

Consistent with its definition as an amount unit, 1 mole of any element contains the same number of atoms as 1 mole of any other
element. The masses of 1 mole of different elements, however, are different, since the masses of the individual atoms are drastically
different. The molar mass of an element (or compound) is the mass in grams of 1 mole of that substance, a property expressed in
units of grams per mole (g/mol) (Figure 2.3.2.4).

Figure 2.3.2.4 : Each sample contains 6.022 × 1023 atoms —1.00 mol of atoms. From left to right (top row): 65.4 g zinc, 12.0 g
carbon, 24.3 g magnesium, and 63.5 g copper. From left to right (bottom row): 32.1 g sulfur, 28.1 g silicon, 207 g lead, and 118.7 g
tin. (credit: modification of work by Mark Ott).
Because the definitions of both the mole and the atomic mass unit are based on the same reference substance, 12C, the molar mass
of any substance is numerically equivalent to its atomic or formula weight in amu. Per the amu definition, a single 12C atom weighs
12 amu (its atomic mass is 12 amu). The former definition of the mole was that a mole was 12 g of 12C contains 1 mole of 12C
atoms (its molar mass is 12 g/mol). This relationship holds for all elements, since their atomic masses are measured relative to that
of the amu-reference substance, 12C. Extending this principle, the molar mass of a compound in grams is likewise numerically
equivalent to its formula mass in amu (Figure 2.3.2.4). On May 20, 2019 the definition was permanently changed to Avogadro's
number: a mole is 6.02214179 × 1023 of any object, from atoms to apples.2

2.3.2.4 https://chem.libretexts.org/@go/page/210639
 Figure 2.3.2.5 : Each sample contains 6.022 × 1023 molecules or formula units—1.00 mol of the compound or element. Clock-
wise from the upper left: 130.2 g of C8H17OH (1-octanol, formula mass 130.2 amu), 454.4 g of HgI2 (mercury(II) iodide, formula
mass 454.4 amu), 32.0 g of CH3OH (methanol, formula mass 32.0 amu) and 256.5 g of S8 (sulfur, formula mass 256.5 amu).
(credit: Sahar Atwa).
Table 2.3.2.1 : Mass of one mole of elements
Element Average Atomic Mass (amu) Molar Mass (g/mol) Atoms/Mole

C 12.01 12.01 6.022 × 10

23

H 1.008 1.008 6.022 × 10

23

O 16.00 16.00 6.022 × 10

23

Na 22.99 22.99 6.022 × 10

23

Cl 33.45 35.45 6.022 × 10

23

While atomic mass and molar mass are numerically equivalent, keep in mind that they are vastly different in terms of scale, as
represented by the vast difference in the magnitudes of their respective units (amu versus g). To appreciate the enormity of the
mole, consider a small drop of water after a rainfall. Although this represents just a tiny fraction of 1 mole of water (~18 g), it
contains more water molecules than can be clearly imagined. If the molecules were distributed equally among the roughly seven
billion people on earth, each person would receive more than 100 billion molecules.

How big is a mole? (Not the animal, the …

Video 2.3.2.2 : The mole is used in chemistry to represent 6.022 × 1023 of something, but it can be difficult to conceptualize such
a large number. Watch this video and then complete the “Think” questions that follow. Explore more about the mole by reviewing
the information under “Dig Deeper.”
The relationships between formula mass, the mole, and Avogadro’s number can be applied to compute various quantities that
describe the composition of substances and compounds. For example, if we know the mass and chemical composition of a
substance, we can determine the number of moles and calculate number of atoms or molecules in the sample. Likewise, if we know
the number of moles of a substance, we can derive the number of atoms or molecules and calculate the substance’s mass.

2.3.2.5 https://chem.libretexts.org/@go/page/210639
Example 2.3.2.3: Deriving Moles from Grams for an Element

According to nutritional guidelines from the US Department of Agriculture, the estimated average requirement for dietary
potassium is 4.7 g. What is the estimated average requirement of potassium in moles?
Solution
The mass of K is provided, and the corresponding amount of K in moles is requested. Referring to the periodic table, the
atomic mass of K is 39.10 amu, and so its molar mass is 39.10 g/mol. The given mass of K (4.7 g) is a bit more than one-tenth
the molar mass (39.10 g), so a reasonable “ballpark” estimate of the number of moles would be slightly greater than 0.1 mol.
The molar amount of a substance may be calculated by dividing its mass (g) by its molar mass (g/mol):

The factor-label method supports this mathematical approach since the unit “g” cancels and the answer has units of “mol:”

4.7 g K ( mol K

39.10 g
) = 0.12 mol K

The calculated magnitude (0.12 mol K) is consistent with our ballpark expectation, since it is a bit greater than 0.1 mol.

Exercise 2.3.2.3: Beryllium

Beryllium is a light metal used to fabricate transparent X-ray windows for medical imaging instruments. How many moles of
Be are in a thin-foil window weighing 3.24 g?

Answer
0.360 mol

Example 2.3.2.4: Deriving Grams from Moles for an Element

A liter of air contains 9.2 × 10−4 mol argon. What is the mass of Ar in a liter of air?
Solution
The molar amount of Ar is provided and must be used to derive the corresponding mass in grams. Since the amount of Ar is less
than 1 mole, the mass will be less than the mass of 1 mole of Ar, approximately 40 g. The molar amount in question is
approximately one-one thousandth (~10−3) of a mole, and so the corresponding mass should be roughly one-one thousandth of
the molar mass (~0.04 g):

In this case, logic dictates (and the factor-label method supports) multiplying the provided amount (mol) by the molar mass
(g/mol):

9.2 × 10
−4
mol Ar ( 39.95 g
) = 0.037 g Ar
mol Ar

The result is in agreement with our expectations, around 0.04 g Ar.

2.3.2.6 https://chem.libretexts.org/@go/page/210639
Exercise 2.3.2.4

What is the mass of 2.561 mol of gold?

Answer
504.4 g

Example 2.3.2.6: Deriving Number of Atoms from Mass for an Element

Copper is commonly used to fabricate electrical wire (Figure 2.3.2.6). How many copper atoms are in 5.00 g of copper wire?

Figure 2.3.2.6 : Copper wire is composed of many, many atoms of Cu. (credit: Emilian Robert Vicol)
Solution
The number of Cu atoms in the wire may be conveniently derived from its mass by a two-step computation: first calculating
the molar amount of Cu, and then using Avogadro’s number (NA) to convert this molar amount to number of Cu atoms:

Considering that the provided sample mass (5.00 g) is a little less than one-tenth the mass of 1 mole of Cu (~64 g), a
reasonable estimate for the number of atoms in the sample would be on the order of one-tenth NA, or approximately 1022 Cu
atoms. Carrying out the two-step computation yields:
23
5.00 g Cu ( 63.55
mol Cu
g
) ( 6.022 × 10 atoms
) = 4.74 × 1022
atoms of copper (2.3.2.1)
mol

The factor-label method yields the desired cancellation of units, and the computed result is on the order of 1022 as expected.

Exercise 2.3.2.6

A prospector panning for gold in a river collects 15.00 g of pure gold. How many Au atoms are in this quantity of gold?

Answer
4.586 × 1022 Au atoms

Example 2.3.2.7: Deriving Moles from Grams for a Compound

Our bodies synthesize protein from amino acids. One of these amino acids is glycine, which has the molecular formula
C2H5O2N. How many moles of glycine molecules are contained in 28.35 g of glycine?
Solution

2.3.2.7 https://chem.libretexts.org/@go/page/210639
 We can derive the number of moles of a compound from its mass following the same procedure we used for an element in
Example 2.3.2.6:

The molar mass of glycine is required for this calculation, and it is computed in the same fashion as its molecular mass. One
mole of glycine, C2H5O2N, contains 2 moles of carbon, 5 moles of hydrogen, 2 moles of oxygen, and 1 mole of nitrogen:

The provided mass of glycine (~28 g) is a bit more than one-third the molar mass (~75 g/mol), so we would expect the
computed result to be a bit greater than one-third of a mole (~0.33 mol). Dividing the compound’s mass by its molar mass
yields:

28.35 g glycine ( mol glycine

75.07 g
) = 0.378 mol glycine

This result is consistent with our rough estimate.

Exercise 2.3.2.7

How many moles of sucrose, C12 H22 O11 , are in a 25-g sample of sucrose?

Answer
0.073 mol

Example 2.3.2.8: Deriving Grams from Moles for a Compound

Vitamin C is a covalent compound with the molecular formula C6H8O6. The recommended daily dietary allowance of vitamin C
for children aged 4–8 years is 1.42 × 10−4 mol. What is the mass of this allowance in grams?
Solution
As for elements, the mass of a compound can be derived from its molar amount as shown:

The molar mass for this compound is computed to be 176.124 g/mol. The given number of moles is a very small fraction of a
mole (~10−4 or one-ten thousandth); therefore, we would expect the corresponding mass to be about one-ten thousandth of the
molar mass (~0.02 g). Performing the calculation, we get:

1.42 × 10
−4
mol vitamin C ( 176.124 g
) = 0.0250 g vitamin C
mol vitamin C

This is consistent with the anticipated result.

2.3.2.8 https://chem.libretexts.org/@go/page/210639
Exercise 2.3.2.8

What is the mass of 0.443 mol of hydrazine, N2 H4 ?

Answer
14.2 g

Example 2.3.2.9: Deriving the Number of Molecules from the Compound Mass

A packet of an artificial sweetener contains 40.0 mg of saccharin (C7H5NO3S), which has the structural formula:

Given that saccharin has a molar mass of 183.18 g/mol, how many saccharin molecules are in a 40.0-mg (0.0400-g) sample of
saccharin? How many carbon atoms are in the same sample?
Solution
The number of molecules in a given mass of compound is computed by first deriving the number of moles, as demonstrated in
Example 2.3.2.8, and then multiplying by Avogadro’s number:

Using the provided mass and molar mass for saccharin yields:

mol C7 H5 NO3 S 6.022 × 1023 C7 H5 NO3 S molecules

0.0400 g C7 H5 NO3 S ( 183.18 g C H NO S
)( ) (2.3.2.2)
7 5 3 1 mol C7 H5 NO3 S

= 1.31 × 1020 C7 H5 NO3 S molecules

The compound’s formula shows that each molecule contains seven carbon atoms, and so the number of C atoms in the provided
sample is:

1.31 × 10
20
C7 H5 NO3 S molecules ( 1 C H7NO
C atoms
S molecule
) = 9.20 × 10 21
C atoms
7 5 3

Exercise 2.3.2.9

How many C4 H10 molecules are contained in 9.213 g of this compound? How many hydrogen atoms?

Answer
9.545 × 1022 molecules CH
4 10

9.545 × 1023 atoms H

2.3.2.9 https://chem.libretexts.org/@go/page/210639
 How To Use Moles - Part 1 | Chemical C…
C…

Video 2.3.2.3 : A preview of some of the uses we will have for moles in upcoming units

Percent Composition
In the previous section, we discussed the relationship between the bulk mass of a substance and the number of atoms or molecules
it contains (moles). Given the chemical formula of the substance, we were able to determine the amount of the substance (moles)
from its mass, and vice versa. But what if the chemical formula of a substance is unknown? In this section, we will explore how to
apply these very same principles in order to derive the chemical formulas of unknown substances from experimental mass
measurements.
The elemental makeup of a compound defines its chemical identity, and chemical formulas are the most succinct way of
representing this elemental makeup. When a compound’s formula is unknown, measuring the mass of each of its constituent
elements is often the first step in the process of determining the formula experimentally. The results of these measurements permit
the calculation of the compound’s percent composition, defined as the percentage by mass of each element in the compound. For
example, consider a gaseous compound composed solely of carbon and hydrogen. The percent composition of this compound could
be represented as follows:

%H = massmass H
compound ×100% (2.3.2.3)
%C = massmass C ×100%
compound (2.3.2.4)
If analysis of a 10.0-g sample of this gas showed it to contain 2.5 g H and 7.5 g C, the percent composition would be calculated to
be 25% H and 75% C:

%H = 10.0 g2.5compound
g H ×100% = 25% (2.3.2.5)
%C = 10.0 g7.5compound
g C ×100% = 75% (2.3.2.6)
Example 2.3.2.10: Calculation of Percent Composition
Analysis of a 12.04-g sample of a liquid compound composed of carbon, hydrogen, and nitrogen showed it to contain 7.34 g C,
1.85 g H, and 2.85 g N. What is the percent composition of this compound?
Solution
To calculate percent composition, we divide the experimentally derived mass of each element by the overall mass of the
compound, and then convert to a percentage:

%C = 12.047.34 g C ×100% = 61.0%

g compound

2.3.2.10 https://chem.libretexts.org/@go/page/210639
 %H = 12.041.85 gH
g compound ×100% = 15.4%
%N = 12.042.85 g N ×100% = 23.7%
g compound
The analysis results indicate that the compound is 61.0% C, 15.4% H, and 23.7% N by mass.

Exercise 2.3.2.10
A 24.81-g sample of a gaseous compound containing only carbon, oxygen, and chlorine is determined to contain 3.01 g C, 4.00
g O, and 17.81 g Cl. What is this compound’s percent composition?

Answer
12.1% C, 16.1% O, 71.8% Cl

Determining Percent Composition from Formula Mass

How To calculate Percentage Mass | Ch…

Ch…

Video 2.3.2.4 : A video overview of how to calculate percent composition of a compound based on its chemical formula.
Percent composition is also useful for evaluating the relative abundance of a given element in different compounds of known
formulas. As one example, consider the common nitrogen-containing fertilizers ammonia (NH3), ammonium nitrate (NH4NO3),
and urea (CH4N2O). The element nitrogen is the active ingredient for agricultural purposes, so the mass percentage of nitrogen in
the compound is a practical and economic concern for consumers choosing among these fertilizers. For these sorts of applications,
the percent composition of a compound is easily derived from its formula mass and the atomic masses of its constituent elements.
A molecule of NH3 contains one N atom weighing 14.01 amu and three H atoms weighing a total of (3 × 1.008 amu) = 3.024 amu.
The formula mass of ammonia is therefore (14.01 amu + 3.024 amu) = 17.03 amu, and its percent composition is:
14.01 amu N ×100% = 82.27%
%N = 17.03 (2.3.2.7)
amu NH3
3.024 amu N ×100% = 17.76%
%H = 17.03 (2.3.2.8)
amu NH3
This same approach may be taken considering a pair of molecules, a dozen molecules, or a mole of molecules, etc. The latter
amount is most convenient and would simply involve the use of molar masses instead of atomic and formula masses, as
demonstrated Example 2.3.2.2 . As long as we know the chemical formula of the substance in question, we can easily derive
percent composition from the formula mass or molar mass.

2.3.2.11 https://chem.libretexts.org/@go/page/210639
 Example 2.3.2.11: Determining Percent Composition from a Molecular Formula
Aspirin is a compound with the molecular formula C9H8O4. What is its percent composition?
Solution
To calculate the percent composition, we need to know the masses of C, H, and O in a known mass of C9H8O4. It is convenient
to consider 1 mol of C9H8O4 and use its molar mass (180.159 g/mole, determined from the chemical formula) to calculate the
percentages of each of its elements:

%C = 9 molar
mol C ×molar mass C ×100 = 9 ×12.01 g/mol 180.159 g/mol ×100 = 108.09 g/mol ×100
mass C9 H18 O4 180.159 g/mol
%C = 60.00 %C
%H = 8 molar
mol H×molar mass H ×100 = 8 ×1.008 g/mol 180.159 g/mol ×100 = 8.064 g/mol ×100
mass C9 H18 O4 180.159 g/mol
%H = 4.476 %H
mol O×molar mass O ×100 = 4 ×16.00 g/mol 180.159 g/mol ×100 = 64.00 g/mol ×100
%O = 4 molar mass C9 H18 O4 180.159 g/mol
%O = 35.52%
Note that these percentages sum to equal 100.00% when appropriately rounded.

Exercise 2.3.2.11
To three significant digits, what is the mass percentage of iron in the compound F e2 O3 ?

Answer
69.9% Fe

Summary

Stoichiometry - Chemistry for Massive …

Video 2.3.2.5 : A summary of the ideas from this unit, including a look at Avogardro's number, the mole, and calculating formula
masses.
The formula mass of a substance is the sum of the average atomic masses of each atom represented in the chemical formula and is
expressed in atomic mass units. The formula mass of a covalent compound is also called the molecular mass. A convenient amount
unit for expressing very large numbers of atoms or molecules is the mole. Experimental measurements have determined the number
of entities composing 1 mole of substance to be 6.022 × 1023, a quantity called Avogadro’s number. The mass in grams of 1 mole of
substance is its molar mass. Due to the use of the same reference substance in defining the atomic mass unit and the mole, the

2.3.2.12 https://chem.libretexts.org/@go/page/210639
formula mass (amu) and molar mass (g/mol) for any substance are numerically equivalent (for example, one H2O molecule weighs
approximately 18 amu and 1 mole of H2O molecules weighs approximately 18 g).

Footnotes
1. 1 Omiatek, Donna M., Amanda J. Bressler, Ann-Sofie Cans, Anne M. Andrews, Michael L. Heien, and Andrew G. Ewing. “The
Real Catecholamine Content of Secretory Vesicles in the CNS Revealed by Electrochemical Cytometry.” Scientific Report 3
(2013): 1447, accessed January 14, 2015, doi:10.1038/srep01447.
2. Read more about the redefinition of SI units including the kilogram here (Laura Howe, CE&N, Nov. 16, 2018).

Glossary
Avogadro’s number (NA)
experimentally determined value of the number of entities comprising 1 mole of substance, equal to 6.022 × 1023 mol−1

formula mass
sum of the average masses for all atoms represented in a chemical formula; for covalent compounds, this is also the molecular
mass

mole
amount of substance containing the same number of atoms, molecules, ions, or other entities as the number of atoms in exactly
12 grams of 12C

molar mass
mass in grams of 1 mole of a substance
percent composition
percentage by mass of the various elements in a compound

Contributors and Attributions

Paul Flowers (University of North Carolina - Pembroke), Klaus Theopold (University of Delaware) and Richard Langley
(Stephen F. Austin State University) with contributing authors. Textbook content produced by OpenStax College is licensed
under a Creative Commons Attribution License 4.0 license. Download for free at http://cnx.org/contents/85abf193-
[email protected]).
Adelaide Clark, Oregon Institute of Technology
Crash Course Chemistry: Crash Course is a division of Complexly and videos are free to stream for educational purposes.
TED-Ed’s commitment to creating lessons worth sharing is an extension of TED’s mission of spreading great ideas. Within
TED-Ed’s growing library of TED-Ed animations, you will find carefully curated educational videos, many of which represent
collaborations between talented educators and animators nominated through the TED-Ed website.
Fuse School, Open Educational Resource free of charge, under a Creative Commons License: Attribution-NonCommercial CC
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2.3.3: Formula Mass, Percent Composition, and the Mole (Problems)
PROBLEM 2.3.3.1

What is the total mass (amu) of carbon in each of the following molecules?
(a) CH4
(b) CHCl3
(c) C12H10O6
(d) CH3CH2CH2CH2CH3

Answer a
12.01 amu

Answer b
12.01 amu

Answer c
144.12 amu

Answer d
60.05 amu

PROBLEM 2.3.3.2

What is the total mass of hydrogen in each of the molecules?

(a) CH4
(b) CHCl3
(c) C12H10O6
(d) CH3CH2CH2CH2CH3

Answer a
4.032 amu

Answer b
1.008 amu

Answer c
10.08 amu

Answer d
12.096 amu

Click here to see a video of the solution

2.3.3.1 https://chem.libretexts.org/@go/page/210640
PROBLEM 2.3.3.3

Calculate the molecular or formula mass of each of the following:

(a) P4
(b) H2O
(c) Ca(NO3)2
(d) CH3CO2H (acetic acid)
(e) C12H22O11 (sucrose, cane sugar).

Answer a
123.896 amu

Answer b
18.015 amu

Answer c
164.086 amu

Answer d
60.052 amu

Answer e
342.297 amu

PROBLEM 2.3.3.4

Determine the molecular mass of the following compounds:

(a)
A structure is shown. A C atom is bonded to two C l atoms and forms a double bond with one O atom.

(b)
A structure is shown. Two C atoms form a triple bond with each other. Each C atom also forms a single bond with on H atom.

(c)
A structure is shown. Two C atoms form double bonds with each other. Each C atom also forms a single bond with an H atom and a B r atom.

(d)
A structure is shown. An S atom forms double bonds with two O atoms. The S atom also forms a single bond with an O atom which forms a single bond with an H atom. The S atom also forms a single bond
with another O atom which forms a single bond with another H atom.

2.3.3.2 https://chem.libretexts.org/@go/page/210640
Answer a
98.906 amu

Answer b
26.018 amu

Answer c
185.818 amu

Answer d
98.072 amu

Click here to see a video of the solution

PROBLEM 2.3.3.5

Determine the molecular mass of the following compounds:

(a)
A structure is shown. Two C atoms form double bonds with each other. The C atom on the left forms a single bond with two H atoms each. The C atom on the right forms a single bond with an H atom and with
a C H subscript 2 C H subscript 3 group.

(b)
A structure is shown. There is a C atom which forms single bonds with three H atoms each. This C atom is bonded to another C atom. This second C atom forms a triple bond with another C atom which forms
a single bond with a fourth C atom. The fourth C atom forms single bonds with three H atoms each.

(c)
A structure is shown. An S i atom forms a single bond with a C l atom, a single bond with a C l atom, a single bond with an H atom, and a single bond with another S i atom. The second S i atom froms a single
bond with a C l atom, a single bond with a C l atom, and a single bond with an H atom.

(d)
A structure is shown. A P atom forms a double bond with an O atom. It also forms a single bond with an O atom which forms a single bond with an H atom. It also forms a single bond with another O atom
which forms a single bond with an H atom. It also forms a single bond with another O atom which forms a single bond with an H atom.

Answer a
56.107 amu

Answer b
54.091 amu

Answer c
199.9976 amu

Answer d

2.3.3.3 https://chem.libretexts.org/@go/page/210640
 97.9950 amu

PROBLEM 2.3.3.6

Compare 1 mole of H2, 1 mole of O2, and 1 mole of F2.

(a) Which has the largest number of molecules? Explain why.
(b) Which has the greatest mass? Explain why.

Answer a
1 mole is always 6.022 x 1023 molecules. They have the same number of molecules.

Answer b
F2; it has the highest molar mass.

PROBLEM 2.3.3.7

Which contains the greatest mass of oxygen: 0.75 mol of ethanol (C2H5OH), 0.60 mol of formic acid (HCO2H), or 1.0 mol of
water (H2O)? Explain why.

Answer
Formic acid. Its formula has twice as many oxygen atoms as the other two compounds (one each). Therefore, 0.60 mol of
formic acid would be equivalent to 1.20 mol of a compound containing a single oxygen atom.

PROBLEM 2.3.3.8

Calculate the molar mass of each of the following:

(a) S8
(b) C5H12
(c) Sc2(SO4)3
(d) CH3COCH3 (acetone)
(e) C6H12O6 (glucose)

Answer a
256.528 g/mol

Answer b
72.150 g/mol

Answer c
378.103 g/mol

Answer d
58.080 g/mol

Answer e
180.158 g/mol

2.3.3.4 https://chem.libretexts.org/@go/page/210640
PROBLEM 2.3.3.9

Calculate the molar mass of each of the following:

(a) the anesthetic halothane, C2HBrClF3
(b) the herbicide paraquat, C12H14N2Cl2
(c) caffeine, C8H10N4O2
(d) urea, CO(NH2)2
(e) a typical soap, C17H35CO2Na

Answer a
197.382 g/mol

Answer b
257.163 g/mol

Answer c
194.193 g/mol

Answer d
60.056 g/mol

Answer e
306.464 g/mol

PROBLEM 2.3.3.10

Determine the number of moles of compound and the number of moles of each type of atom in each of the following:
(a) 25.0 g of propylene, C3H6
(b) 3.06 × 10−3 g of the amino acid glycine, C2H5NO2
(c) 25 lb of the herbicide Treflan, C13H16N2O4F (1 lb = 454 g)
(d) 0.125 kg of the insecticide Paris Green, Cu4(AsO3)2(CH3CO2)2
(e) 325 mg of aspirin, C6H4(CO2H)(CO2CH3)

Answer a
0.595 mol C3H6
1.78 mol C
3.57 mol H

Answer b
4.08 × 10-5 mol C2H5NO2
8.16 × 10-5 mol C
2.04 × 10-4 mol H
4.08 × 10-5 mol N
8.16 × 10-5 mol O

Answer c
40.106 mol C13H16N2O4F
521.37 mol C

2.3.3.5 https://chem.libretexts.org/@go/page/210640
 641.70 mol H
80.212 mol N
160.42 mol O
40.106 mol F

Answer d
0.202 mol Cu4(AsO3)2(CH3CO2)2
0.808 mol Cu
0.404 mol As
2.02 mol O
0.808 mol C
1.212 mol H

Answer e
0.00181 mol C6H4(CO2H)(CO2CH3)
0.01625 mol C
0.0144 mol H
0.0072 mol O

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PROBLEM 2.3.3.11

Determine the mass of each of the following:

(a) 0.0146 mol KOH
(b) 10.2 mol ethane, C2H6
(c) 1.6 × 10−3 mol Na2 SO4
(d) 6.854 × 103 mol glucose, C6 H12 O6
(e) 2.86 mol Co(NH3)6Cl3

Answer a
0.819 g

Answer b
307 g

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Answer c
0.23 g

Answer d
1.235 × 106 g (1235 kg)

Answer e
765 g

PROBLEM 2.3.3.12

Determine the number of moles of the compound and determine the number of moles of each type of atom in each of the
following:
(a) 2.12 g of potassium bromide, KBr
(b) 0.1488 g of phosphoric acid, H3PO4
(c) 23 kg of calcium carbonate, CaCO3
(d) 78.452 g of aluminum sulfate, Al2(SO4)3
(e) 0.1250 mg of caffeine, C8H10N4O2

Answer a
0.0178 mol KBr
0.0178 mol K
0.0178 mol Br

Answer b
0.00152 mol H3PO4
0.00455 mol H
0.00152 mol P
0.00607 mol O

Answer c
230 mol CaCO3
230 mol Ca
230 mol C
690 mol O

Answer d
0.229 mol Al2(SO4)3
0.459 mol Al
0.688 mol S
2.75 mol O

Answer e
6.44 × 10-7 mol C8H10N4O2
5.15 × 10-6 mol C
6.44 × 10-6 mol H

2.3.3.7 https://chem.libretexts.org/@go/page/210640
 2.58 × 10-6 mol N
1.29 × 10-6 mol O

PROBLEM 2.3.3.13

The approximate minimum daily dietary requirement of the amino acid leucine, C6H13NO2, is 1.1 g. What is this requirement
in moles?

Answer
0.0084 mol C6H13NO2

PROBLEM 2.3.3.14

Determine the mass in grams of each of the following:

(a) 0.600 mol of oxygen atoms
(b) 0.600 mol of oxygen molecules, O2
(c) 0.600 mol of ozone molecules, O3

Answer a
9.60 g

Answer b
19.2 g

Answer c
28.2 g

PROBLEM 2.3.3.15

A 55-kg woman has 7.5 × 10−3 mol of hemoglobin (molar mass = 64,456 g/mol) in her blood. How many hemoglobin
molecules is this? What is this quantity in grams?

Answer
4.52 × 1021 molecules of hemoglobin
483.42 g of hemoglobin

PROBLEM 2.3.3.16

One 55-gram serving of a particular cereal supplies 270 mg of sodium, 11% of the recommended daily allowance. How many
moles and atoms of sodium are in the recommended daily allowance?

Answer
0.012 mol Na; 7.06 × 1021 atoms Na

PROBLEM 2.3.3.17

A tube of toothpaste contains 0.76 g of sodium monofluorophosphate (Na2PO3F) in 100 mL.

a. What mass of fluorine atoms in mg was present?
b. How many fluorine atoms were present?

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Answer a
100.27 mg F

Answer b
3.18 × 1021 atoms F

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Problem 4.2.17

PROBLEM 2.3.3.18

Which of the following represents the least number of molecules?

a. 20.0 g of H2O (18.02 g/mol)
b. 77.0 g of CH4 (16.06 g/mol)
c. 68.0 g of CaH2 (42.09 g/mol)
d. 100.0 g of N2O (44.02 g/mol)
e. 84.0 g of HF (20.01 g/mol)

Answer
20.0 g of H2O represents the smallest number of moles, meaning the least number of molecules present. Since 1 mole =
6.022 × 1023 molecules (or atoms) regardless of identity, the least number of moles will equal the least number of
molecules.

PROBLEM 2.3.3.19

Calculate the following:

(a) the percent composition of ammonia, NH3
(b) the percent composition of photographic “hypo,” Na2S2O3
(c) the percent of calcium ion in Ca3(PO4)2

Answer a
% N = 82.24%
% H = 17.76%

Answer b
% Na = 29.08%
% S = 40.56%
% O = 30.36%

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 Answer c
% Ca2+ = 38.76%

PROBLEM 2.3.3.20

A compound of carbon and hydrogen contains 92.3% C and has a molar mass of 78.1 g/mol. What is its molecular formula?

Answer
C6H6

PROBLEM 2.3.3.21

Dichloroethane, a compound that is often used for dry cleaning, contains carbon, hydrogen, and chlorine. It has a molar mass
of 99 g/mol. Analysis of a sample shows that it contains 24.3% carbon and 4.1% hydrogen. What is its molecular formula?

Answer
C2H4Cl2

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Problem 4.3.4

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Contributors and Attributions

Paul Flowers (University of North Carolina - Pembroke), Klaus Theopold (University of Delaware) and Richard Langley
(Stephen F. Austin State University) with contributing authors. Textbook content produced by OpenStax College is licensed
under a Creative Commons Attribution License 4.0 license. Download for free at http://cnx.org/contents/85abf193-
[email protected]).
Adelaide Clark, Oregon Institute of Technology

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2.3.4: Empirical and Molecular Formulas
Learning Objectives
Determine the empirical formula of a compound
Determine the molecular formula of a compound

Determination of Empirical Formulas

As previously mentioned, the most common approach to determining a compound’s chemical formula is to first measure the
masses of its constituent elements. However, we must keep in mind that chemical formulas represent the relative numbers, not
masses, of atoms in the substance. Therefore, any experimentally derived data involving mass must be used to derive the
corresponding numbers of atoms in the compound. To accomplish this, we can use molar masses to convert the mass of each
element to a number of moles. We then consider the moles of each element relative to each other, converting these numbers into a
whole-number ratio that can be used to derive the empirical formula of the substance. Consider a sample of compound determined
to contain 1.71 g C and 0.287 g H. The corresponding numbers of atoms (in moles) are:
1 mol C
1.71 g C × = 0.142 mol C (2.3.4.1)
12.01 g C

1 mol H
0.287 g H × = 0.284 mol H (2.3.4.2)
1.008 g H

Thus, we can accurately represent this compound with the formula C0.142H0.284. Of course, per accepted convention, formulas
contain whole-number subscripts, which can be achieved by dividing each subscript by the smaller subscript:
C 0.142 H 0.284 or CH2 (2.3.4.3)
0.142 0.142

(Recall that subscripts of “1” are not written, but rather assumed if no other number is present.)
The empirical formula for this compound is thus CH2. This may or not be the compound’s molecular formula as well; however, we
would need additional information to make that determination (as discussed later in this section).
Consider as another example a sample of compound determined to contain 5.31 g Cl and 8.40 g O. Following the same approach
yields a tentative empirical formula of:
C l0.150O0.525 = C l 0.150 O 0.525 = ClO3.5 (2.3.4.4)
0.150 0.150

In this case, dividing by the smallest subscript still leaves us with a decimal subscript in the empirical formula. To convert this into
a whole number, we must multiply each of the subscripts by two, retaining the same atom ratio and yielding Cl2O7 as the final
empirical formula.

Procedure
In summary, empirical formulas are derived from experimentally measured element masses by:
1. Deriving the number of moles of each element from its mass
2. Dividing each element’s molar amount by the smallest molar amount to yield subscripts for a tentative empirical formula
3. Multiplying all coefficients by an integer, if necessary, to ensure that the smallest whole-number ratio of subscripts is
obtained

Figure 2.3.4.1 outlines this procedure in flow chart fashion for a substance containing elements A and X.

2.3.4.1 https://chem.libretexts.org/@go/page/210641
 Figure 2.3.4.1 : The empirical formula of a compound can be derived from the masses of all elements in the sample.

Example 2.3.4.3: Determining an Empirical Formula from Masses of Elements

A sample of the black mineral hematite (Figure 2.3.4.2), an oxide of iron found in many iron ores, contains 34.97 g of iron and
15.03 g of oxygen. What is the empirical formula of hematite?

Figure 2.3.4.2 : Hematite is an iron oxide that is used in jewelry. (credit: Mauro Cateb)
Solution
For this problem, we are given the mass in grams of each element. Begin by finding the moles of each:
mol Fe
34.97 g Fe ( 55.85 g
) = 0.6261 mol Fe

mol O
15.03 g O ( 16.00 g
) = 0.9394 mol O
Next, derive the iron-to-oxygen molar ratio by dividing by the lesser number of moles:
0.6261
= 1.000 mol Fe
0.6261
0.9394
= 1.500 mol O
0.6261

The ratio is 1.000 mol of iron to 1.500 mol of oxygen (Fe1O1.5). Finally, multiply the ratio by two to get the smallest possible
whole number subscripts while still maintaining the correct iron-to-oxygen ratio:

2(Fe1 O1.5 ) = Fe2 O3

The empirical formula is F e2 O3 .

Exercise 2.3.4.3

What is the empirical formula of a compound if a sample contains 0.130 g of nitrogen and 0.370 g of oxygen?

Answer
N2 O5

2.3.4.2 https://chem.libretexts.org/@go/page/210641
 Calculating Percent Composition and E…
E…

Video 2.3.4.2 : Additional worked examples illustrating the derivation of empirical formulas are presented in the brief video clip.

Deriving Empirical Formulas from Percent Composition

Finally, with regard to deriving empirical formulas, consider instances in which a compound’s percent composition is available
rather than the absolute masses of the compound’s constituent elements. In such cases, the percent composition can be used to
calculate the masses of elements present in any convenient mass of compound; these masses can then be used to derive the
empirical formula in the usual fashion.

Example 2.3.4.4: Determining an Empirical Formula from Percent Composition

The bacterial fermentation of grain to produce ethanol forms a gas with a percent composition of 27.29% C and 72.71% O
(Figure 2.3.4.3). What is the empirical formula for this gas?

Figure 2.3.4.3 : An oxide of carbon is removed from these fermentation tanks through the large copper pipes at the top.
(credit: “Dual Freq”/Wikimedia Commons)
Solution
Since the scale for percentages is 100, it is most convenient to calculate the mass of elements present in a sample weighing 100
g. The calculation is “most convenient” because, per the definition for percent composition, the mass of a given element in
grams is numerically equivalent to the element’s mass percentage. This numerical equivalence results from the definition of the
“percentage” unit, whose name is derived from the Latin phrase per centum meaning “by the hundred.” Considering this
definition, the mass percentages provided may be more conveniently expressed as fractions:

27.29 %C = 10027.29 gC
g compound
72.71 %O = 10072.71 gO
g compound

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The molar amounts of carbon and hydrogen in a 100-g sample are calculated by dividing each element’s mass by its molar mass:

27.29 g C ( mol C

12.01 g
) = 2.272 mol C

72.71 g O ( mol O

16.00 g
) = 4.544 mol O

Coefficients for the tentative empirical formula are derived by dividing each molar amount by the lesser of the two:
2.272 mol C
=1
2.272

4.544 mol O
=2
2.272

Since the resulting ratio is one carbon to two oxygen atoms, the empirical formula is CO2.

Exercise 2.3.4.4

What is the empirical formula of a compound containing 40.0% C, 6.71% H, and 53.28% O?

Answer
CH O 2

Derivation of Molecular Formulas

Empirical Formulae From Percentage C…

C…

Video 2.3.4.3 : A review of calculating empirical formula from percent composition and an explanation of deriving molecular
formula.
Recall that empirical formulas are symbols representing the relative numbers of a compound’s elements. Determining the absolute
numbers of atoms that compose a single molecule of a covalent compound requires knowledge of both its empirical formula and its
molecular mass or molar mass. These quantities may be determined experimentally by various measurement techniques. Molecular
mass, for example, is often derived from the mass spectrum of the compound (see discussion of this technique in the previous
chapter on atoms and molecules). Molar mass can be measured by a number of experimental methods, many of which will be
introduced in later chapters of this text.
Molecular formulas are derived by comparing the compound’s molecular or molar mass to its empirical formula mass. As the name
suggests, an empirical formula mass is the sum of the average atomic masses of all the atoms represented in an empirical formula.
If we know the molecular (or molar) mass of the substance, we can divide this by the empirical formula mass in order to identify
the number of empirical formula units per molecule, which we designate as n:

2.3.4.4 https://chem.libretexts.org/@go/page/210641
 g
molecular or molar mass (amu or )
mol
= n formula units/molecule (2.3.4.5)
g
empirical formula mass (amu or )
mol

The molecular formula is then obtained by multiplying each subscript in the empirical formula by n, as shown by the generic
empirical formula AxBy:

(Ax By )n = Anx Bnx (2.3.4.6)

For example, consider a covalent compound whose empirical formula is determined to be CH2O. The empirical formula mass for
this compound is approximately 30 amu (the sum of 12 amu for one C atom, 2 amu for two H atoms, and 16 amu for one O atom).
If the compound’s molecular mass is determined to be 180 amu, this indicates that molecules of this compound contain six times
the number of atoms represented in the empirical formula:
180 amu/molecule
amu = 6 formula units/molecule (2.3.4.7)
30
formula unit

Molecules of this compound are then represented by molecular formulas whose subscripts are six times greater than those in the
empirical formula:

(CH2 O) 6 = C6 H12 O6 (2.3.4.8)

Note that this same approach may be used when the molar mass (g/mol) instead of the molecular mass (amu) is used. In this case,
we are merely considering one mole of empirical formula units and molecules, as opposed to single units and molecules.

Example 2.3.4.5: Determination of the Molecular Formula for Nicotine

Nicotine, an alkaloid in the nightshade family of plants that is mainly responsible for the addictive nature of cigarettes, contains
74.02% C, 8.710% H, and 17.27% N. If 40.57 g of nicotine contains 0.2500 mol nicotine, what is the molecular formula?
Solution
Determining the molecular formula from the provided data will require comparison of the compound’s empirical formula mass
to its molar mass. As the first step, use the percent composition to derive the compound’s empirical formula. Assuming a
convenient, a 100-g sample of nicotine yields the following molar amounts of its elements:
1 mol C
(74.02 g C) ( 12.01 gC
) = 6.163 mol C (2.3.4.9)

1 mol H
(8.710 g H) ( 1.01 gH
) = 8.624 mol H (2.3.4.10)

1 mol N
(17.27 g N) ( 14.01 gN
) = 1.233 mol N (2.3.4.11)

Next, we calculate the molar ratios of these elements relative to the least abundant element, N .
6.163 mol C/ 1.233 mol N = 5
8.264 mol H / 1.233 mol N = 7
1.233 mol N / 1.233 mol N = 1
1.233/1.233 = 1.000 mol N
6.163/1.233 = 4.998 mol C
8.624/1.233 = 6.994 mol H
The C-to-N and H-to-N molar ratios are adequately close to whole numbers, and so the empirical formula is C5H7N. The
empirical formula mass for this compound is therefore 81.13 amu/formula unit, or 81.13 g/mol formula unit.
We calculate the molar mass for nicotine from the given mass and molar amount of compound:

2.3.4.5 https://chem.libretexts.org/@go/page/210641
 40.57 g nicotine 162.3 g
0.2500 mol nicotine = mol
Comparing the molar mass and empirical formula mass indicates that each nicotine molecule contains two formula units:
162.3 g/mol = 2 formula units/molecule
g
81.13 formula unit
Thus, we can derive the molecular formula for nicotine from the empirical formula by multiplying each subscript by two:

(C5 H7 N)2 = C10 H14 N2

Exercise 2.3.4.5
What is the molecular formula of a compound with a percent composition of 49.47% C, 5.201% H, 28.84% N, and 16.48% O,
and a molecular mass of 194.2 amu?

Answer
C8H10N4O2

Summary
The chemical identity of a substance is defined by the types and relative numbers of atoms composing its fundamental entities
(molecules in the case of covalent compounds, ions in the case of ionic compounds). A compound’s percent composition provides
the mass percentage of each element in the compound, and it is often experimentally determined and used to derive the compound’s
empirical formula. The empirical formula mass of a covalent compound may be compared to the compound’s molecular or molar
mass to derive a molecular formula.

Key Equations
%X = massmass X ×100%
compound g )
molecular or molar mass (amu or mol
g ) = n formula units/molecule
empirical formula mass (amu or mol
(AxBy)n = AnxBny

Glossary
percent composition
percentage by mass of the various elements in a compound

empirical formula mass

sum of average atomic masses for all atoms represented in an empirical formula

Contributors and Attributions

Paul Flowers (University of North Carolina - Pembroke), Klaus Theopold (University of Delaware) and Richard Langley
(Stephen F. Austin State University) with contributing authors. Textbook content produced by OpenStax College is licensed
under a Creative Commons Attribution License 4.0 license. Download for free at http://cnx.org/contents/85abf193-
[email protected]).
Adelaide Clark, Oregon Institute of Technology
Fuse School, Open Educational Resource free of charge, under a Creative Commons License: Attribution-NonCommercial CC
BY-NC (View License Deed: https://creativecommons.org/licenses/by-nc/4.0/)

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Feedback
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2.3.5: Empirical and Molecular Formulas (Problems)
PROBLEM 2.3.5.1

Determine the empirical formulas for compounds with the following percent compositions:
(a) 15.8% carbon and 84.2% sulfur
(b) 40.0% carbon, 6.7% hydrogen, and 53.3% oxygen

Answer a
CS2

Answer b
CH2O

PROBLEM 2.3.5.2

Determine the empirical and molecular formula for chrysotile asbestos. Chrysotile has the following percent composition:
28.03% Mg, 21.60% Si, 1.16% H, and 49.21% O. The molar mass for chrysotile is 520.8 g/mol.

Answer
Mg3Si2H3O8 (empirical formula), Mg6Si4H6O16 (molecular formula)

PROBLEM 2.3.5.3

Polymers are large molecules composed of simple units repeated many times. Thus, they often have relatively simple empirical
formulas. Calculate the empirical formulas of the following polymers:
(a) Lucite (Plexiglas); 59.9% C, 8.06% H, 32.0% O
(b) Saran; 24.8% C, 2.0% H, 73.1% Cl
(c) polyethylene; 86% C, 14% H
(d) polystyrene; 92.3% C, 7.7% H
(e) Orlon; 67.9% C, 5.70% H, 26.4% N

Answer a
C5H8O2

Answer b
CHCl

Answer c
CH2

Answer d
CH

Answer e
C3H3N

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 Problem 4.3.3

PROBLEM 2.3.5.4

A major textile dye manufacturer developed a new yellow dye. The dye has a percent composition of 75.95% C, 17.72% N,
and 6.33% H by mass with a molar mass of about 240 g/mol. Determine the molecular formula of the dye.

Answer
C15H15N3

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Contributors and Attributions

Paul Flowers (University of North Carolina - Pembroke), Klaus Theopold (University of Delaware) and Richard Langley
(Stephen F. Austin State University) with contributing authors. Textbook content produced by OpenStax College is licensed
under a Creative Commons Attribution License 4.0 license. Download for free at http://cnx.org/contents/85abf193-
[email protected]).
Adelaide Clark, Oregon Institute of Technology

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