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
Preferred IUPAC name
Heptane[2]
Other names
Septane[1]
Identifiers
3D model (JSmol)
1730763
ChEBI
ChEMBL
ChemSpider
EC Number
  • 205-563-8
49760
MeSH n-heptane
RTECS number
  • MI7700000
UNII
UN number 1206
  • InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 checkY
    Key: IMNFDUFMRHMDMM-UHFFFAOYSA-N checkY
  • CCCCCCC
Properties
C7H16
Molar mass 100.205 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)
12 nmol Pa−1 kg−1
−85.24·10−6 cm3/mol
1.3855[3]
Viscosity 0.389 mPa·s[5]
0.0 D
Thermochemistry
224.64 J K−1 mol−1
328.57 J K−1 mol−1
−225.2 – −223.6 kJ mol−1
−4.825 – −4.809 MJ mol−1
Hazards
GHS labelling:
GHS02: Flammable GHS07: Exclamation mark GHS08: Health hazard GHS09: Environmental hazard
Danger
H225, H304, H315, H336, H410
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)
223.0 °C (433.4 °F; 496.1 K)
Explosive limits 1.05–6.7%
Lethal dose or concentration (LD, LC):
17,986 ppm (mouse, 2 hr)[6]
16,000 ppm (human)
15,000 ppm (mouse, 30 min)[6]
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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Heptane or n-heptane is the straight-chain alkane with the chemical formula H3C(CH2)5CH3 or C7H16. When used as a test fuel component in anti-knock test engines, a 100% heptane fuel is the zero point of the octane rating scale (the 100 point is 100% iso-octane). Octane number equates to the anti-knock qualities of a comparison mixture of heptane and iso-octane which is expressed as the percentage of iso-octane in heptane, and is listed on pumps for gasoline (petrol) dispensed globally.

  1. ^ 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.
  2. ^ "n-heptane – Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 16 September 2004. Identification and Related Records. Retrieved 2 January 2012.
  3. ^ a b c d Haynes, William M., ed. (2011). CRC Handbook of Chemistry and Physics (92nd ed.). Boca Raton, FL: CRC Press. p. 3.290. ISBN 1-4398-5511-0.
  4. ^ a b c d NIOSH Pocket Guide to Chemical Hazards. "#0312". National Institute for Occupational Safety and Health (NIOSH).
  5. ^ Dymond, J. H.; Oye, H. A. (1994). "Viscosity of Selected Liquid n-Alkanes". Journal of Physical and Chemical Reference Data. 23 (1): 41–53. Bibcode:1994JPCRD..23...41D. doi:10.1063/1.555943. ISSN 0047-2689.
  6. ^ a b "n-Heptane". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).