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H6703

Sigma-Aldrich

Hexadecane

ReagentPlus®, 99%

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Synonym(s):
n-Hexadecane, Cetane
Linear Formula:
CH3(CH2)14CH3
CAS Number:
544-76-3
Molecular Weight:
226.44
Beilstein:
1736592
EC Number:
208-878-9
MDL number:
MFCD00008998
UNSPSC Code:
12352100
PubChem Substance ID:
57654266
NACRES:
NA.21

vapor density

7.8 (vs air)

Quality Level

200

vapor pressure

1 mmHg ( 105.3 °C)

product line

ReagentPlus®

Assay

99%

form

liquid

autoignition temp.

395 °F

refractive index

n20/D 1.434 (lit.)

bp

287 °C (lit.)

mp

18 °C (lit.)

transition temp

solidification point 17.5-18.5 °C

density

0.773 g/mL at 25 °C (lit.)

SMILES string

CCCCCCCCCCCCCCCC

InChI

1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChI key

DCAYPVUWAIABOU-UHFFFAOYSA-N

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General description

Hexadecane (n-Hexadecane) is an aliphatic long-chain hydrocarbon. It is a reference fuel with the cetane number 100 and is employed in determining the cetane number of diesel fuels. The mechanism of the oxidation of hexadecane in the gas-phase has been described. The density, speed of sound, adiabatic compressibility and compressed liquid density of hexadecane have been determined. The performance of platinum/zeolite catalysts for the hydroisomerization of n-hexadecane has been assessed. The thermal degradation of n-hexadecane forms n-alkanes and 1-alkenes as key products.

Application

Hexadecane has been used as a phase change material (PCM) in the preparation of hexadecane/xGnP (exfoliated graphite nanoplatelet), a composite PCM loaded with xGnP.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Health hazard
GHS08

Signal Word

Danger

Hazard Statements

H304

Precautionary Statements

P301 + P310 - P331 - P405 - P501

Hazard Classifications

Asp. Tox. 1

Supplementary Hazards

EUH066

WGK

WGK 1

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Kinetics and product distribution of n-hexadecane pyrolysis.
Watanabe M, et al.
AIChE Journal, 46(4), 843-856 (2000)
Density and speed of sound measurements of hexadecane.
Outcalt S, et al.
The Journal of Chemical Thermodynamics, 42(6), 700-706 (2010)
High thermal performance composite PCMs loading xGnP for application to building using radiant floor heating system
Jeon J, et al.
Solar Energy Mat. and Solar Cells, 101, 51-56 (2012)
The gas-phase oxidation of n-hexadecane.
Fournet R, et al.
International Journal of Chemical Kinetics, 33(10), 574-586 (2001)
Comparison of Pt/zeolite catalysts for n-hexadecane hydroisomerization.
Park KC and Ihm SK.
Applied Catalysis A: General, 203(2), 201-209 (2000)
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