Docosane

C22H46CAS 629-97-0310.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C22H46
Molar mass
310.61 g/mol
Exact mass
310.3600 Da
Density
0.7944 g/mL (at 20 °C)
Melting point
44.4 °C
Boiling point
368.6 °C
Flash point
113 °C (closed cup)
Water solubility
insoluble
logP
8.83Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
19

Hazards

Warning
Irritant (GHS07)

Aggregated from 239 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
629-97-0
SMILES
CCCCCCCCCCCCCCCCCCCCCC
InChIKey
HOWGUJZVBDQJKV-UHFFFAOYSA-N
InChI
InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names
  • n-Docosane
  • NSC 77139
  • Parafol 22-95

Work with Docosane

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook