chempirical

Hexylbenzene

C12H18CAS 1077-16-3162.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C12H18
Molar mass
162.28 g/mol
Exact mass
162.1409 Da
Density
0.852 g/mL (at 19 °C)
Melting point
−61 °C
Boiling point
226.1 °C
logP
3.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
1077-16-3
SMILES
CCCCCCc1ccccc1
InChIKey
LTEQMZWBSYACLV-UHFFFAOYSA-N
InChI
InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, hexyl-
  • Hexane, 1-phenyl-
  • n-Hexylbenzene
  • 1-Phenylhexane
  • NSC 86141
  • 6-Phenylhexane

Work with Hexylbenzene

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 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

Same formula

1,4-Diisopropylbenzene100-18-5 1,3,5-Triethylbenzene102-25-0 1,2,4-Trivinylcyclohexane2855-27-8 1,5,9-Cyclododecatriene4904-61-4 Trans,trans,trans-1,5,9-cyclododecatriene676-22-2 Cyclododecatriene706-31-0 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-0 Hexamethylbenzene87-85-4

Elsewhere

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