Hexadecane

Hexadecane
Names
	Preferred IUPAC name Hexadecane
	Other names Cetane
Identifiers
CAS Number	544-76-3 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1736592
ChEBI	CHEBI:45296 ;
ChEMBL	ChEMBL134994 ;
ChemSpider	10540 ;
ECHA InfoCard	100.008.072
EC Number	208-878-9;
Gmelin Reference	103739
MeSH	n-hexadecane
PubChem CID	11006;
UNII	F8Z00SHP6Q ;
CompTox Dashboard (EPA)	DTXSID0027195 ;
	InChI InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 Key: DCAYPVUWAIABOU-UHFFFAOYSA-N ;
	SMILES CCCCCCCCCCCCCCCC;
Properties
Chemical formula	C16H34
Molar mass	226.448 g·mol−1
Appearance	Colourless liquid
Odor	Gasoline-like to odorless
Density	0.77 g/cm3
Melting point	18.18 °C (64.72 °F; 291.33 K)
Boiling point	286.9 °C (548.4 °F; 560.0 K)
log P	8.859
Vapor pressure	< 0.1 mbar (20 °C)
Henry's law; constant (kH)	43 nmol Pa−1 kg−1
Magnetic susceptibility (χ)	-187.6·10−6 cm3/mol
Thermal conductivity	0.140 W/(m·K)
Refractive index (nD)	1.4329
Viscosity	3.03 mPa·s
Thermochemistry
Heat capacity (C)	501.6 J K−1 mol−1
Std enthalpy of; formation (ΔfH⦵298)	−456.1 kJ mol−1
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315
Flash point	136 °C (277 °F; 409 K)
Autoignition; temperature	202 °C (396 °F; 475 K)
Related compounds
Related alkanes	Pentadecane; Heptadecane;
	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

Hexadecane (also called cetane) is an alkane hydrocarbon with the chemical formula C₁₆H₃₄. Hexadecane consists of a chain of 16 carbon atoms, with three hydrogen atoms bonded to the two end carbon atoms, and two hydrogens bonded to each of the 14 other carbon atoms.

^ CID 11006 from PubChem
^ ^a ^b ^c ^d Haynes, p. 3.294
^ Record in the GESTIS Substance Database of the Institute for Occupational Safety and Health
^ Haynes, p. 3.578
^ Haynes, p. 6.256
^ Haynes, p. 6.245
^ Haynes, p. 5.21
^ ^a ^b Haynes, p. 16.25

[1] CID 11006 from PubChem

[CRC-2] Haynes, p. 3.294

[GESTIS-3] Record in the GESTIS Substance Database of the Institute for Occupational Safety and Health

[4] Haynes, p. 3.578

[5] Haynes, p. 6.256

[6] Haynes, p. 6.245

[7] Haynes, p. 5.21

[CRC2-8] Haynes, p. 16.25

[1]

[2]

[3]

[4]

[5]

[6]

[7]

[8]

Names



Preferred IUPAC name Hexadecane^[1]
Other names Cetane
Identifiers
CAS Number	544-76-3^Y
3D model (JSmol)	Interactive image
Beilstein Reference	1736592
ChEBI	CHEBI:45296^Y
ChEMBL	ChEMBL134994^Y
ChemSpider	10540^Y
ECHA InfoCard	100.008.072
EC Number	208-878-9
Gmelin Reference	103739
MeSH	n-hexadecane
PubChem CID	11006
UNII	F8Z00SHP6Q^Y
CompTox Dashboard (EPA)	DTXSID0027195
InChI InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3^Y Key: DCAYPVUWAIABOU-UHFFFAOYSA-N^Y
SMILES CCCCCCCCCCCCCCCC
Properties
Chemical formula	C₁₆H₃₄
Molar mass	226.448 g·mol⁻¹
Appearance	Colourless liquid
Odor	Gasoline-like to odorless
Density	0.77 g/cm³^[2]^[3]
Melting point	18.18 °C (64.72 °F; 291.33 K)^[2]
Boiling point	286.9 °C (548.4 °F; 560.0 K)^[2]
log P	8.859
Vapor pressure	< 0.1 mbar (20 °C)
Henry's law constant (k_H)	43 nmol Pa⁻¹ kg⁻¹
Magnetic susceptibility (χ)	-187.6·10⁻⁶ cm³/mol^[4]
Thermal conductivity	0.140 W/(m·K)^[5]
Refractive index (n_D)	1.4329^[2]
Viscosity	3.03 mPa·s^[6]
Thermochemistry^[7]
Heat capacity (C)	501.6 J K⁻¹ mol⁻¹
Std enthalpy of formation (Δ_fH^⦵₂₉₈)	−456.1 kJ mol⁻¹
Hazards
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315
Flash point	136 °C (277 °F; 409 K)^[8]
Autoignition temperature	202 °C (396 °F; 475 K)^[8]
Related compounds
Related alkanes	Pentadecane Heptadecane
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