chempirical

Octadecylbenzene

C24H42CAS 4445-07-2330.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C24H42
Molar mass
330.60 g/mol
Exact mass
330.3287 Da
Density
0.8563 g/mL (at 20 °C)
Melting point
29 °C
Boiling point
408 °C
logP
8.49Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
17

Identifiers

CAS number
4445-07-2
SMILES
CCCCCCCCCCCCCCCCCCc1ccccc1
InChIKey
WSVDSBZMYJJMSB-UHFFFAOYSA-N
InChI
InChI=1S/C24H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h17,19-20,22-23H,2-16,18,21H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, octadecyl-
  • Octadecane, 1-phenyl-
  • n-Octadecylbenzene
  • NSC 41235

Work with Octadecylbenzene

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook