Hexadecane

Hexadecane
Names
	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 °C (64 °F; 291 K)
Boiling point	287 °C (549 °F; 560 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)	-187.63·10−6 cm3/mol
Refractive index (nD)	1.434
Thermochemistry
Heat capacity (C)	499.72 J K−1 mol−1 or 2.21 J K−1 g−1
Std molar; entropy (So298)	586.18 J K−1 mol−1
Std enthalpy of; formation (ΔfH⦵298)	−458.3–−454.3 kJ mol−1
Std enthalpy of; combustion (ΔcH⦵298)	−10.7009–−10.6973 MJ mol−1
Hazards
GHS pictograms
GHS Signal word	Warning
GHS hazard statements	H315
Flash point	135 °C (275 °F; 408 K)
Autoignition; temperature	215 °C (419 °F; 488 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).

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.

Cetane number

Cetane is often used as a shorthand for cetane number, a measure of the combustion of diesel fuel. Cetane ignites very easily under compression; for this reason, it is assigned a cetane number of 100, and serves as a reference for other fuel mixtures.

References

^ CID 11006 from PubChem
^ ^a ^b ^c ^d ^e Record in the GESTIS Substance Database of the Institute for Occupational Safety and Health

External links

Vapor pressure and liquid density calculation
Technique to determine hexadecane transfer

[1] CID 11006 from PubChem

[GESTIS-2] Record in the GESTIS Substance Database of the Institute for Occupational Safety and Health

[1]

[2]

Names



IUPAC name Hexadecane^[1]
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^[2]
Melting point	18 °C (64 °F; 291 K)^[2]
Boiling point	287 °C (549 °F; 560 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)	-187.63·10⁻⁶ cm³/mol
Refractive index (n_D)	1.434
Thermochemistry
Heat capacity (C)	499.72 J K⁻¹ mol⁻¹ or 2.21 J K⁻¹ g⁻¹
Std molar entropy (S^o₂₉₈)	586.18 J K⁻¹ mol⁻¹
Std enthalpy of formation (Δ_fH^⦵₂₉₈)	−458.3–−454.3 kJ mol⁻¹
Std enthalpy of combustion (Δ_cH^⦵₂₉₈)	−10.7009–−10.6973 MJ mol⁻¹
Hazards
GHS pictograms
GHS Signal word	Warning
GHS hazard statements	H315
Flash point	135 °C (275 °F; 408 K)^[2]
Autoignition temperature	215 °C (419 °F; 488 K)^[2]
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).

Hexadecane

Cetane number

See also

References

External links