Heptane

Heptane
Names
	Preferred IUPAC name Heptane
	Other names Septane
Identifiers
CAS Number	142-82-5 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1730763
ChEBI	CHEBI:43098 ;
ChEMBL	ChEMBL134658 ;
ChemSpider	8560 ;
EC Number	205-563-8;
Gmelin Reference	49760
MeSH	n-heptane
PubChem CID	8900;
RTECS number	MI7700000;
UNII	456148SDMJ ;
UN number	1206
	InChI InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 Key: IMNFDUFMRHMDMM-UHFFFAOYSA-N ;
	SMILES CCCCCCC;
Properties
Chemical formula	C7H16
Molar mass	100.205 g·mol−1
Appearance	Colourless liquid
Odor	Petrolic
Density	0.6795 g cm−3
Melting point	−90.549 °C (−130.988 °F; 182.601 K)
Boiling point	98.38 °C (209.08 °F; 371.53 K)
Solubility in water	0.0003% (20 °C)
log P	4.274
Vapor pressure	5.33 kPa (at 20.0 °C)
Henry's law; constant (kH)	12 nmol Pa−1 kg−1
Magnetic susceptibility (χ)	−85.24·10−6 cm3/mol
Refractive index (nD)	1.3855
Viscosity	0.389 mPa·s
Dipole moment	0.0 D
Thermochemistry
Heat capacity (C)	224.64 J K−1 mol−1
Std molar; entropy (S⦵298)	328.57 J K−1 mol−1
Std enthalpy of; formation (ΔfH⦵298)	−225.2 – −223.6 kJ mol−1
Std enthalpy of; combustion (ΔcH⦵298)	−4.825 – −4.809 MJ mol−1
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H304, H315, H336, H410
Precautionary statements	P210, P261, P273, P301+P310, P331
NFPA 704 (fire diamond)	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)
LCLo (lowest published)	16,000 ppm (human); 15,000 ppm (mouse, 30 min)
	NIOSH (US health exposure limits):
PEL (Permissible)	TWA 500 ppm (2000 mg/m3)
REL (Recommended)	TWA 85 ppm (350 mg/m3) C 440 ppm (1800 mg/m3) [15-minute]
IDLH (Immediate danger)	750 ppm
Related compounds
Related alkanes	Hexane; Octane;
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

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.

^ 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.
^ "n-heptane – Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 16 September 2004. Identification and Related Records. Retrieved 2 January 2012.
^ ^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.
^ ^a ^b ^c ^d NIOSH Pocket Guide to Chemical Hazards. "#0312". National Institute for Occupational Safety and Health (NIOSH).
^ 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.
^ ^a ^b "n-Heptane". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).

[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.

[b92-3] 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.

[PGCH-4] NIOSH Pocket Guide to Chemical Hazards. "#0312". National Institute for Occupational Safety and Health (NIOSH).

[Dymond1994-5] 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.

[IDLH-6] "n-Heptane". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).

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Names



Preferred IUPAC name Heptane^[2]
Other names Septane^[1]
Identifiers
CAS Number	142-82-5^Y
3D model (JSmol)	Interactive image
Beilstein Reference	1730763
ChEBI	CHEBI:43098^Y
ChEMBL	ChEMBL134658^Y
ChemSpider	8560^Y
EC Number	205-563-8
Gmelin Reference	49760
MeSH	n-heptane
PubChem CID	8900
RTECS number	MI7700000
UNII	456148SDMJ^Y
UN number	1206
InChI InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3^Y Key: IMNFDUFMRHMDMM-UHFFFAOYSA-N^Y
SMILES CCCCCCC
Properties
Chemical formula	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)
Solubility in water	0.0003% (20 °C)^[4]
log P	4.274
Vapor pressure	5.33 kPa (at 20.0 °C)
Henry's law constant (k_H)	12 nmol Pa⁻¹ kg⁻¹
Magnetic susceptibility (χ)	−85.24·10⁻⁶ cm³/mol
Refractive index (n_D)	1.3855^[3]
Viscosity	0.389 mPa·s^[5]
Dipole moment	0.0 D
Thermochemistry
Heat capacity (C)	224.64 J K⁻¹ mol⁻¹
Std molar entropy (S^⦵₂₉₈)	328.57 J K⁻¹ mol⁻¹
Std enthalpy of formation (Δ_fH^⦵₂₉₈)	−225.2 – −223.6 kJ mol⁻¹
Std enthalpy of combustion (Δ_cH^⦵₂₉₈)	−4.825 – −4.809 MJ mol⁻¹
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H304, H315, H336, H410
Precautionary statements	P210, P261, P273, P301+P310, P331
NFPA 704 (fire diamond)	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)^[6]
LC_Lo (lowest published)	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	Hexane Octane
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is ^YN ?) Infobox references