chempirical

Hexadecylbenzene

C22H38CAS 1459-09-2302.55 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C22H38
Molar mass
302.55 g/mol
Exact mass
302.2974 Da
Density
0.8558 g/mL (at 20 °C)
Melting point
27 °C
Boiling point
385 °C
logP
7.71Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
15

Identifiers

CAS number
1459-09-2
SMILES
CCCCCCCCCCCCCCCCc1ccccc1
InChIKey
DEQLTFPCJRGSHW-UHFFFAOYSA-N
InChI
InChI=1S/C22H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, hexadecyl-
  • Hexadecane, 1-phenyl-
  • Hexadecane, 1(or 16)-phenyl-
  • n-Hexadecylbenzene
  • 1-Phenylhexadecane
  • Hexadecylbenzol

Work with Hexadecylbenzene

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

Decylbenzene104-72-3100 % similar Hexylbenzene1077-16-3100 % similar Heptylbenzene1078-71-3100 % similar n-Nonylbenzene1081-77-2100 % similar Dodecylbenzene123-01-3100 % similar Tridecylbenzene123-02-4100 % similar Tetradecylbenzene1459-10-5100 % similar Heptadecylbenzene14752-75-1100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook