Pentadecylbenzene

C21H36CAS 2131-18-2288.52 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C21H36
Molar mass
288.52 g/mol
Exact mass
288.2817 Da
Density
0.8548 g/mL (at 20 °C)
Melting point
22 °C
Boiling point
373 °C
logP
7.32Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
14

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
2131-18-2
SMILES
CCCCCCCCCCCCCCCc1ccccc1
InChIKey
JIRNEODMTPGRGV-UHFFFAOYSA-N
InChI
InChI=1S/C21H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, pentadecyl-
  • Pentadecane, 1-phenyl-
  • n-Pentadecylbenzene
  • 1-Phenylpentadecane
  • 1-Phenyl-n-pentadecane
  • Pentadecylbenzol
  • NSC 88949

Work with Pentadecylbenzene

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