A
chemical formula is a concise way of expressing information about the
atoms that constitute a particular
chemical compound. A chemical formula is also a short way of showing how a chemical reaction occurs. For
molecular compounds, it identifies each constituent
element by its
chemical symbol and indicates the number of atoms of each element found in each discrete
molecule of that compound. If a molecule contains more than one atom of a particular element, this quantity is indicated using a
subscript after the chemical symbol (although 19th-century books often used superscripts). For
ionic compounds and other non-molecular substances, the subscripts indicate the ratio of elements in the
empirical formula.
This system for writing chemical formulas was invented by the 19th-century Swedish chemist
Jons Jakob Berzelius.
Molecular and structural formula
For example
methane, a simple molecule consisting of one
carbon atom bonded to four
hydrogen atoms has the chemical formula:
» CH4
and
glucose with six
carbon atoms, twelve
hydrogen atoms and six
oxygen atoms has the chemical formula:
» C6H12O6.
A chemical formula supplies information about the types and spatial arrangement of
bonds in the chemical, though it doesn't necessarily specify the exact
isomer. For example
ethane consists of two carbon atoms single-bonded to each other, with each carbon atom having three hydrogen atoms bonded to it. Its chemical formula can be rendered as CH
3CH
3. If there were a double bond between the carbon atoms (and thus each carbon only had two hydrogens), the chemical formula may be written: CH
2CH
2, and the fact that there's a double bond between the carbons is assumed. However, a more explicit and correct method is to write H
2C:CH
2 or H
2C=CH
2. The two dots or lines indicate that a double bond connects the atoms on either side of them.
A triple bond may be expressed with three dots or lines, and if there may be ambiguity, a single dot or line may be used to indicate a single bond.
Molecules with multiple functional groups that are the same may be expressed in the following way: (CH
3)
3CH. However, this implies a different structure from other molecules that can be formed using the same atoms (
isomers). The formula (CH
3)
3CH implies a chain of three carbon atoms, with the middle carbon atom bonded to another carbon:
and the remaining bonds on the carbons all leading to hydrogen atoms. However, the same number of atoms (10 hydrogens and 4 carbons, or C
4H
10) may be used to make a straight chain: CH
3CH
2CH
2CH
3.
The alkene but-2-ene has two isomers which the chemical formula CH
3CH=CHCH
3 doesn't identify. The relative position of the two methyl groups must be indicated by additional notation denoting whether the methyl groups are on the same side of the double bond (
cis or
Z) or on the opposite sides from each other.(
trans or
E)
Polymers
For
polymers, parentheses are placed around the repeating unit. For example, a
hydrocarbon molecule that's described as: CH
3(CH
2)
50CH
3, is a molecule with 50 repeating units. If the number of repeating units is unknown or variable, the letter
n may be used to indicate this: CH
3(CH
2)
nCH
3.
Ions
For
ions, the charge on a particular atom may be denoted with a right-hand superscript. For example Na
+, or Cu
2+. The total charge on a charged molecule or a
polyatomic ion may also be shown in this way. For example: hydronium, H
3O
+ or sulfate, SO
42-.
Isotopes
Although
isotopes are more relevant to
nuclear chemistry or
stable isotope chemistry than to conventional chemistry, different isotopes may be indicated with a left-hand
superscript in a chemical formula. For example, the phosphate ion containing radioactive phosphorus-32 is
32PO
43-. Also a study involving stable isotope ratios might include
18O:
16O.
A left-hand subscript is sometimes used to indicate redundantly, for convenience, the
atomic number.
Empirical formula
In
chemistry, the
empirical formula of a chemical is a simple expression of the relative number of each type of atom or ratio of the elements in the compound. Empirical formulas are the standard for ionic compounds, such as CaCl
2, and for macromolecules, such as SiO
2. An empirical formula makes no reference to
isomerism, structure, or absolute number of atoms. The term
empirical refers to the process of
elemental analysis, a technique of
analytical chemistry used to determine the relative percent composition of a pure chemical substance by element.
For example
hexane has a molecular formula of C
6H
14, or structurally CH
3CH
2CH
2CH
2CH
2CH
3, implying that it has a chain structure of 6
carbon atoms, and 14
hydrogen atoms. However, the empirical formula for hexane is C
3H
7. Likewise the empirical formula for
hydrogen peroxide, H
2O
2, is simply HO expressing the 1:1 ratio of component elements.
Non-stoichiometric formulas
Main article: Non-stoichiometric compound
Chemical formulas most often use
natural numbers for each of the elements. However, there's a whole class of compounds, called
non-stoichiometric compounds, that can't be represented by well-defined natural numbers. Such a formula might be written using
real numbers, as in Fe
0.95O, or it might include a variable part represented by a letter, as in Fe
1–xO.
General forms for organic compounds
Chemical formula used for a series of compounds that differ from each other by a constant unit is called
general formula. Such a series is called the
homologous series, while its members are called homologs. The
Hill system is a common convention for writing and sorting formulas.
Hill System
The
Hill system is a system of writing
chemical formulas such that the number of
carbon atoms in a
molecule is indicated first, the number of
hydrogen atoms next, and then the number of all other
chemical elements subsequently, in
alphabetical order. When the formula contains no carbon, all the elements, including hydrogen, are listed alphabetically.
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