chempirical

Decylbenzene

C16H26CAS 104-72-3218.38 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C16H26
Molar mass
218.38 g/mol
Exact mass
218.2035 Da
Density
0.8555 g/mL (at 20 °C)
Melting point
−14.4 °C
Boiling point
298 °C
logP
5.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

Identifiers

CAS number
104-72-3
SMILES
CCCCCCCCCCc1ccccc1
InChIKey
UZILCZKGXMQEQR-UHFFFAOYSA-N
InChI
InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, decyl-
  • Decane, 1-phenyl-
  • 1-Phenyldecane
  • n-Decylbenzene
  • 1-Phenyl-n-decane
  • NSC 74191

Work with Decylbenzene

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

Hexylbenzene1077-16-3100 % similar Heptylbenzene1078-71-3100 % similar n-Nonylbenzene1081-77-2100 % similar Dodecylbenzene123-01-3100 % similar Tridecylbenzene123-02-4100 % similar Hexadecylbenzene1459-09-2100 % 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