chempirical

Octylbenzene

C14H22CAS 2189-60-8190.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C14H22
Molar mass
190.33 g/mol
Exact mass
190.1722 Da
Density
0.8582 g/mL (at 20 °C)
Melting point
−36 °C
Boiling point
264.5 °C
logP
4.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Identifiers

CAS number
2189-60-8
SMILES
CCCCCCCCc1ccccc1
InChIKey
CDKDZKXSXLNROY-UHFFFAOYSA-N
InChI
InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, octyl-
  • Octane, 1-phenyl-
  • n-Octylbenzene
  • 1-Phenyloctane
  • Octylbenzol
  • NSC 404115

Work with Octylbenzene

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 Hexadecylbenzene1459-09-2100 % similar Tetradecylbenzene1459-10-5100 % similar

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

Same formula

1,4-Di-tert-butylbenzene1012-72-2 1,3-Di-tert-butylbenzene1014-60-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook