Lesson 3.6-3.

Molecular Formulas

Molecular formulas are a compact chemical notation that describe the type and number of atoms
in a single molecule of a compound.

Molecular formulas describe the exact number and type of atoms in a single molecule of a
compound. The constituent elements are represented by their chemical symbols, and the number
of atoms of each element present in each molecule is shown as a subscript following that
element’s symbol. The molecular formula expresses information about the proportions of atoms
that constitute a particular chemical compound, using a single line of chemical element symbols
and numbers. Sometimes it also includes other symbols, such as parentheses, dashes, brackets,
and plus (+) and minus (–) signs.

For organic compounds, carbon and hydrogen are listed as the first elements in the molecular
formula, and they are followed by the remaining elements in alphabetical order. For example, for
butane, the molecular formula is C4H10. For ionic compounds, the cation precedes the anion in
the molecular formula. For example, the molecular formula of sodium fluoride is NaF.

A molecular formula is not a chemical name, and it contains no words. Although a molecular
formula may imply certain simple chemical structures, it is not the same as a full chemical
structural formula. Molecular formulas are more limiting than chemical names and structural
formulas.

Empirical and Molecular Formulas

The simplest types of chemical formulas are called empirical formulas, which indicate the ratio
of each element in the molecule. The empirical formula is the simplest whole number ratio of all
the atoms in a molecule. For example:

 The molecular formula for glucose is C6H12O6. The molecular formula indicates the exact
number of atoms in the molecule.
 The empirical formula expresses the smallest whole number ratio of the atoms in the
element. In this case, the empirical formula of glucose is CH2O.

To convert between empirical and molecular formulas, the empirical formula can be multiplied
by a whole number to reach the molecular formula. In this case, the empirical formula would be
multiplied by 6 to get to the molecular formula.

Molecular Formulas and Structural Formulas

Molecular formulas contain no information about the arrangement of atoms. Because of this, one
molecular formula can describe a number of different chemical structures. A structural formula is
used to indicate not only the number of atoms, but also their arrangement in space. A structural
formula is not as compact and easy to communicate, but it provides information that the
molecular formula does not about the relative positioning of atoms and the bonding between
atoms. Compounds that share a chemical formula but have different chemical structures are
known as isomers, and they can have quite different physical properties.

Structural formula of butane: The chemical structure of butane indicates not only the number of
atoms, but also their arrangement in space.

Empirical Formulas

Empirical formulas describe the simplest whole-number ratio of the elements in a compound.

Chemists use a variety of notations to describe and summarize the atomic constituents of
compounds. These notations, which include empirical, molecular, and structural formulas, use
the chemical symbols for the elements along with numeric values to describe atomic
composition.

Empirical formulas are the simplest form of notation. They provide the lowest whole-number
ratio between the elements in a compound. Unlike molecular formulas, they do not provide
information about the absolute number of atoms in a single molecule of a compound. The
molecular formula for a compound is equal to, or a whole-number multiple of, its empirical
formula.

Structural Formulas v. Empirical Formulas

An empirical formula (like a molecular formula) lacks any structural information about the
positioning or bonding of atoms in a molecule. It can therefore describe a number of different
structures, or isomers, with varying physical properties. For butane and isobutane, the empirical
formula for both molecules is C2H5, and they share the same molecular formula, C4H10.
However, one structural representation for butane is CH3CH2CH2CH3, while isobutane can be
described using the structural formula (CH3)3CH.

Butane: The structural formula of butane.

Isobutane: The structural formula of isobutane.

Determining Empirical Formulas

Empirical formulas can be determined using mass composition data. For example, combustion
analysis can be used in the following manner:

 A CHN analyzer (an instrument that can determine the composition of a molecule) can be
used to find the mass fractions of carbon, hydrogen, oxygen, and other atoms for a sample
of an unknown organic compound.
 Once the relative mass contributions of elements are known, this information can be
converted into moles.
 The empirical formula is the lowest possible whole-number ratio of the elements.
Molecular Compounds

Molecular compounds are inorganic compounds that take the form of discrete molecules.
Examples include such familiar substances as water (H2O)(H2O) and carbon
dioxide (CO2)(CO2). These compounds are very different from ionic compounds like sodium
chloride (NaCl)(NaCl). Ionic compounds are formed when metal atoms lose one or more of their
electrons to nonmetal atoms. The resulting cations and anions are electrostatically attracted to each
other.

So what holds the atoms of a molecule together? Rather than forming ions, the atoms of a molecule
share their electrons in such a way that a bond forms between pairs of atoms. In a carbon dioxide
molecule, there are two of these bonds, each occurring between the carbon atom and one of the
two oxygen atoms.
 Figure 5.7.15.7.1: Carbon dioxide molecules consist of a central
carbon atom bonded to 2 oxygen atoms.

Larger molecules can have many, many bonds that serve to keep the molecule together. In a large
sample of a given molecular compound, all of the individual molecules are identical.

Naming Binary Molecular Compounds

Recall that a molecular formula shows the number of atoms of each element that a molecule
contains. A molecule of water contains two hydrogen atoms and one oxygen atom, so its formula
is H2OH2O. A molecule of octane, which is a component of gasoline, contains 8 atoms of carbon
and 18 atoms of hydrogen. The molecular formula of octane is C8H18C8H18.

Figure 5.7.25.7.2: Nitrogen dioxide (NO2)(NO2) is a reddish-brown toxic gas

that is a prominent air pollutant produced by internal combustion engines.

Naming binary (two-element) molecular compounds is similar to naming simple ionic

compounds. The first element in the formula is simply listed using the name of the element. The
second element is named by taking the stem of the element name and adding the suffix -ide. A
system of numerical prefixes is used to specify the number of atoms in a molecule.
Table 5.7.15.7.1 lists these numerical prefixes.

Table 5.7.15.7.1: Numerical Prefixes for Naming Binary Covalent Compounds

Number of Atoms in Compound Prefix on the Name of the Element

1 mono-*
2 di-
3 tri-
 Table 5.7.15.7.1: Numerical Prefixes for Naming Binary Covalent Compounds
Number of Atoms in Compound Prefix on the Name of the Element

4 tetra-
5 penta-
6 hexa-
7 hepta-
8 octa-
9 nona-
10 deca-

*This prefix is not used for the first element’s name.

Note
  Generally, the less-electronegative element is written first in the formula, though there
are a few exceptions. Carbon is always first in a formula and hydrogen is after nitrogen in
a formula such as NH3NH3. The order of common nonmetals in binary compound
formulas is CC, PP, NN, HH, SS, II, BrBr, ClCl, OO, FF.
 The a or o at the end of a prefix is usually dropped from the name when the name of the
element begins with a vowel. As an example, four oxygen atoms, is tetroxide instead of
tetraoxide.
 The prefix is "mono"is not added to the first element’s name if there is only one atom of
the first element in a molecule.

Some examples of molecular compounds are listed in Table 5.7.25.7.2.

Table 5.7.25.7.2

Formula Name

NONO nitrogen monoxide

N2ON2O dinitrogen monoxide

S2Cl2S2Cl2 disulfur dichloride

Cl2O7Cl2O7 dichlorine heptoxide

Notice that the mono- prefix is not used with the nitrogen in the first compound, but is used with
the oxygen in both of the first two examples. The S2Cl2S2Cl2 emphasizes that the formulas for
molecular compounds are not reduced to their lowest ratios. The o of the mono- and
the a of hepta- are dropped from the name when paired with oxide.