chempirical

Cumene

C9H12CAS 98-82-8120.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C9H12
Molar mass
120.19 g/mol
Exact mass
120.0939 Da
Density
0.862 g/mL (at 20 °C)
Melting point
−96 °C
Boiling point
152.4 °C
logP
2.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
98-82-8
SMILES
CC(C)c1ccccc1
InChIKey
RWGFKTVRMDUZSP-UHFFFAOYSA-N
InChI
InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, (1-methylethyl)-
  • (1-Methylethyl)benzene
  • Cumol
  • Isopropylbenzene
  • 2-Phenylpropane
  • NSC 8776
  • i-Propylbenzene

Work with Cumene

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

4-Isopropylbiphenyl7116-95-270 % similar 1,4-Diisopropylbenzene100-18-569 % similar 1,3-Diisopropylbenzene99-62-763 % similar 1,1-Diphenylethane612-00-058 % similar M-Cymene535-77-357 % similar 4-Isopropylpyridine696-30-052 % similar P-Cymene99-87-652 % similar 1-Phenylethanol13323-81-450 % similar

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

Same formula

n-Propylbenzene103-65-1 Mesitylene108-67-8 Ethylidene norbornene16219-75-3 1,8-Nonadiyne2396-65-8 Vinyl norbornene3048-64-4 1,2,3-Trimethylbenzene526-73-8 1-Ethyl-2-methylbenzene611-14-3 1-Ethyl-3-methylbenzene620-14-4

Elsewhere

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