chempirical

Hexadecane

C16H34CAS 544-76-3226.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C16H34
Molar mass
226.45 g/mol
Exact mass
226.2661 Da
Density
0.7734 g/mL (at 20 °C)
Melting point
18.14 °C
Boiling point
286.5 °C
Flash point
135 °C (closed cup)
Water solubility
miscible
logP
6.49Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
13

Hazards

Danger
Health Hazard (GHS08)

Aggregated from 1,815 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P301+P316, P331, P405, P501

Identifiers

CAS number
544-76-3
SMILES
CCCCCCCCCCCCCCCC
InChIKey
DCAYPVUWAIABOU-UHFFFAOYSA-N
InChI
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

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Names and synonyms

8 names
  • Cetane
  • n-Hexadecane
  • n-Cetane
  • NSC 7334
  • S 6 (Alkane)
  • TS Paraffin TS 6
  • TS 6
  • MPCM 18D

Reactions

Work with Hexadecane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Octane111-65-9100 % similar Nonane111-84-2100 % similar Dodecane112-40-3100 % similar Icosane112-95-8100 % similar Undecane1120-21-4100 % similar Decane124-18-5100 % similar Tetratriacontane14167-59-0100 % similar Heptane142-82-5100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Isocetane4390-04-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia