Heptane

Heptane
Skeletal formula of heptane
Skeletal formula of heptane of all implicit carbons shown, and all explicit hydrogens added
Ball-and-stick model of the heptane molecule
Names
IUPAC name
Heptane[1]
Other names
Septane[2]
Identifiers
  • 142-82-5 checkY
3D model (JSmol)
Beilstein Reference 1730763
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.005.058
EC Number
  • 205-563-8
Gmelin Reference 49760
MeSH n-heptane
RTECS number
  • MI7700000
UNII
UN number 1206
CompTox Dashboard (EPA)
SMILES
  • CCCCCCC
Properties
C7H16
Molar mass 100.21 g·mol−1
Appearance Colourless liquid
Odor Petrolic
Density 0.6795 g cm−3[3]
Melting point −90.549[3] °C (−130.988 °F; 182.601 K)
Boiling point 98.38[3] °C (209.08 °F; 371.53 K)
0.0003% (20 °C)[4]
log P 4.274
Vapor pressure 5.33 kPa (at 20.0 °C)
kH 12 nmol Pa−1 kg−1
-85.24·10−6 cm3/mol
1.3855[3]
Viscosity 0.386 mPa·s
0.0 D
Thermochemistry
Std enthalpy of
formation ΔfHo298		 −225.2–−223.6 kJ mol−1
Std enthalpy of
combustion ΔcHo298		 −4.825–−4.809 MJ mol−1
Standard molar
entropy So298		 328.57 J K−1 mol−1
Specific heat capacity, C 224.64 J K−1 mol−1
Hazards
GHS labelling:
Pictograms
 Template:GHS flame Template:GHS exclamation mark Template:GHS health hazard Template:GHS environment
Signal word
 Danger
Hazard statements
 H225, H304, H315, H336, H410
Precautionary statements
 P210, P261, P273, P301+P310, P331
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
1
3
0
Flash point −4.0 °C (24.8 °F; 269.1 K)
Autoignition
temperature
 223.0 °C (433.4 °F; 496.1 K)
Explosive limits 1.05–6.7%
Lethal dose or concentration (LD, LC):
LC50 (median concentration)
 17,986 ppm (mouse, 2 hr)[5]
LCLo (lowest published)
 16,000 ppm (human)
15,000 ppm (mouse, 30 min)[5]
NIOSH (US health exposure limits):
PEL (Permissible)
 TWA 500 ppm (2000 mg/m3)[4]
REL (Recommended)
 TWA 85 ppm (350 mg/m3) C 440 ppm (1800 mg/m3) [15-minute][4]
IDLH (Immediate danger)
 750 ppm[4]
Related compounds
Related alkanes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Heptane is an organic compound with the chemical formula C
7H
16. It is an alkane with seven carbon atoms. It is used in fuels and is in gasoline.

References

  1. ↑ "n-heptane – Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 16 September 2004. Identification and Related Records. Retrieved 2 January 2012.
  2. ↑ Hofmann, August Wilhelm Von (1 January 1867). "I. On the action of trichloride of phosphorus on the salts of the aromatic monamines". Proceedings of the Royal Society of London. 15: 54–62. doi:10.1098/rspl.1866.0018. S2CID 98496840. Archived from the original on 28 April 2018. Retrieved 3 April 2018 – via rspl.royalsocietypublishing.org.
  3. 1 2 3 4 Haynes, William M., ed. (2011). CRC Handbook of Chemistry and Physics (92nd ed.). Boca Raton, FL: CRC Press. p. 3.290. ISBN 1439855110.
  4. 1 2 3 4 NIOSH Pocket Guide to Chemical Hazards. "#0312". National Institute for Occupational Safety and Health (NIOSH).
  5. 1 2 "n-Heptane". Immediately Dangerous to Life or Health Concentrations. National Institute for Occupational Safety and Health.
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