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Iron pentacarbonyl

Properties, data and information sources.

 

Contents

Iron pentacarbonyl is an organic chemical compound from the group of carbonyls in which the Fe atom is formally in the oxidation state 0. The iron compound is a homoleptic metal carbonyl in which carbon monoxide CO is the only ligand complexed with the metal.

 

Names and Identifiers

Name
Iron pentacarbonyl
Formula
C5FeO5
Fe(CO)5
Molar mass
195.895 (g/mol)
CAS registry number
13463-40-6
EC number EINECS
236-670-8
InChI Key
FYOFOKCECDGJBF-UHFFFAOYSA-N

Other names, synonyms
Pentacarbonyl iron; Iron(0) pentacarbonyl; Iron carbonyl

 

Chemical formulas

Molecular formula and structural formula of Iron pentacarbonyl:

 

Iron pentacarbonyl

 

C5FeO5 or Fe(CO)5

Mr = 195.895 g/mol
SMILES: [C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[Fe]

 

Data and Properties

Pure iron pentacarbonyl is a straw-yellow to orange-red, oily liquid that has a musty smell.

solubility:
+ Soluble in organic solvents.
- Unsoluble in water; very sparingly soluble in alcohol.
melting point
-21 °C
boiling point
105 °C
flash point
-15 °C
ignition temperature
55 °C
density
1.495 g cm-3 at 0 °C

1.457 g cm-3 at 20 °C

1.419 g cm-3 at 40 °C
vapor pressure
30.6 hPa at 20 °C
51.6 hPa at 30 °C
84.1 hPa at 40 °C
viscosity
76 mPa s at 20 °C
refractive index
nD = 1.5196 at 20 °C
standard enthalpy of formation
-766.09 kJ/mol at 25 °C [l]
enthalpy of vaporization
37.2 kJ/mol at 105 °C
melting enthalpy
13.6 kJ/mol
69.4 kJ/kg
enthalpy of combustion
-1606 kJ/mol at 25 °C [l]
heat capacity
235 J/(mol K) at 20 °C
thermal conductivity
0.139 W/(m·K)
critical points
Tc = 13 °C
pc = 29 bar
dipole moment
0 D

 

Spectroscopic data:

SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
FzhsWQAGhhV

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Iron pentacarbonyl - C5FeO5 - calculated based on molecular mass.

Symbol
Element ENumber x
of atoms ExData of the element
and isotopes *Percentages
of isotopesPercentage of
Ex in formula massC
Carbon5 Ar = 12.011 u
ΣAr = 60.055 u
12C: 12 u [98,94 %]
14C: 14.00324 u [<< 1 %]
13C: 13.00335 u [1,06 %] 
12C: 30.33177 %
14C: trace
13C: 0.32496 %
30.6567 %Fe
Iron1ΣAr = 55.845 u
54Fe: 53.93961 u [5,845 %]
56Fe: 55.93494 u [91,754 %]
58Fe: 57.93327 u [0,282 %]
57Fe: 56.93539 u [2,119 %] 
54Fe: 1.66627 %
56Fe: 26.15688 %
58Fe: 0.08039 %
57Fe: 0.60408 %
28.5076 %O
Oxygen5 Ar = 15.999 u
ΣAr = 79.995 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %] 
16O: 40.73642 %
17O: 0.01566 %
18O: 0.08371 %
40.8357 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

 

More calculated data

The molar mass is M = 195.895 grams per mole.

The amount of substance in one kilogram of the substance is n = 5.105 mol.

The amount of substance in one gram of the substance is n = 0.005 mol.

Monoisotopic mass: 195.909509095 Da - related to 12C556Fe16O5.

 

Hazard warnings according to GHS

(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.

Signal word: Danger

GHS hazard statements (H phrases):


H225
Highly flammable liquid and vapour

H300
Fatal if swallowed

H310
Fatal in contact with skin

H311
Toxic in contact with skin

H330
Fatal if inhaled

H372
Causes damage to organs through prolonged or repeated exposure

Iron pentacarbonyl forms flammable vapor-air mixtures with an explosive range between 3.7 and 12.5 vol%.

LD50 (rat, oral): 25 mg/kg.

Labeling in the EU: See ECHA Substance Infocard 100.033.323.

For toxicology and occupational safety when handling Iron pentacarbonyl as well as measures to be taken in case of danger, see: Hazardous Substances Information System GESTIS, ZVG-Nr. 004250.

International Chemical Safety Card ICSC (SDS, MSDS): See ICSC: 0168.

 

External Sources

PubChem:ID 26040ChemSpider:ID 24254UNII of the FDA (USA):Unique Ingredient Identifier 6WQ62TAQ6ZOther CAS RN:36823-35-5; 37220-42-1; 540770-45-4; 848779-17-9 (also used, outdated or deleted registration numbers)

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Iron pentacarbonyl as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

 

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Iron_pentacarbonyl.

 

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Last update: 2026-01-14

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