chempirical

tert-Butylbenzene

C10H14CAS 98-06-6134.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C10H14
Molar mass
134.22 g/mol
Exact mass
134.1096 Da
Density
0.8669 g/mL (at 20 °C)
Melting point
−57.8 °C
Boiling point
169.1 °C
logP
2.98Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
98-06-6
SMILES
CC(C)(C)c1ccccc1
InChIKey
YTZKOQUCBOVLHL-UHFFFAOYSA-N
InChI
InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, (1,1-dimethylethyl)-
  • Benzene, tert-butyl-
  • (1,1-Dimethylethyl)benzene
  • 2-Methyl-2-phenylpropane
  • Trimethylphenylmethane
  • Dimethylethylbenzene
  • t-Butylbenzene
  • Phenyltrimethylmethane
  • NSC 6557

Work with tert-Butylbenzene

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

1,4-Di-tert-butylbenzene1012-72-269 % similar 1,3-Di-tert-butylbenzene1014-60-463 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-858 % similar 2,3-Dimethyl-2,3-diphenylbutane1889-67-458 % similar Dimethyldiphenylmethane778-22-358 % similar 4-tert-Butylbenzophenone22679-54-554 % similar 4-tert-Butylpyridine3978-81-252 % similar 4-tert-Butyltoluene98-51-152 % similar

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

Same formula

n-Butylbenzene104-51-8 1,4-Diethylbenzene105-05-5 1,2-Diethylbenzene135-01-3 sec-Butylbenzene135-98-8 1,3-Diethylbenzene141-93-5 1,9-Decadiyne1720-38-3 Prehnitene488-23-3 Isodurene527-53-7

Elsewhere

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