chempirical

1,3-Diethylbenzene

C10H14CAS 141-93-5134.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C10H14
Molar mass
134.22 g/mol
Exact mass
134.1096 Da
Density
0.8602 g/mL (at 20 °C)
Melting point
−83.9 °C
Boiling point
181.1 °C
logP
2.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
141-93-5
SMILES
CCc1cccc(CC)c1
InChIKey
AFZZYIJIWUTJFO-UHFFFAOYSA-N
InChI
InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1,3-diethyl-
  • Benzene, m-diethyl-
  • m-Diethylbenzene
  • m-Ethylethylbenzene
  • NSC 62102
  • 1-Ethyl-3-ethylbenzene

Work with 1,3-Diethylbenzene

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-Ethyl-3-methylbenzene620-14-468 % similar 1-Bromo-3-ethylbenzene2725-82-865 % similar 3-Ethylaniline587-02-065 % similar 3-Ethylphenol620-17-765 % similar 1,3,5-Triethylbenzene102-25-065 % similar Ethylbenzene100-41-463 % similar 2-Ethylnaphthalene939-27-554 % similar 3-Ethylphenyl isothiocyanate19241-20-452 % 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 1,9-Decadiyne1720-38-3 Prehnitene488-23-3 Isodurene527-53-7 O-Cymene527-84-4

Elsewhere

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