chempirical

Pentylbenzene

C11H16CAS 538-68-1148.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C11H16
Molar mass
148.25 g/mol
Exact mass
148.1252 Da
Density
0.8624 g/mL (at 22 °C)
Melting point
−75 °C
Boiling point
205.4 °C
logP
3.42Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

Environmental Hazard (GHS09)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
538-68-1
SMILES
CCCCCc1ccccc1
InChIKey
PWATWSYOIIXYMA-UHFFFAOYSA-N
InChI
InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3

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

Names and synonyms

9 names
  • Benzene, pentyl-
  • Amylbenzene
  • n-Amylbenzene
  • Pentane, 1-phenyl-
  • n-Pentylbenzene
  • 1-Phenylpentane
  • 1-Phenyl-n-pentane
  • NSC 73982
  • 1-Pentylbenzene

Reactions

Work with Pentylbenzene

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

Decylbenzene104-72-395 % similar Hexylbenzene1077-16-395 % similar Heptylbenzene1078-71-395 % similar n-Nonylbenzene1081-77-295 % similar Dodecylbenzene123-01-395 % similar Tridecylbenzene123-02-495 % similar Hexadecylbenzene1459-09-295 % similar Tetradecylbenzene1459-10-595 % similar

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

Same formula

Neopentylbenzene1007-26-7 (1-Ethylpropyl)benzene1196-58-3 Isopentylbenzene2049-94-7 tert-Amylbenzene2049-95-8 Pentamethylbenzene700-12-9 4-tert-Butyltoluene98-51-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook