chempirical

Nonane

C9H20CAS 111-84-2128.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C9H20
Molar mass
128.26 g/mol
Exact mass
128.1565 Da
Density
0.7176 g/mL (at 20 °C)
Melting point
−51 °C
Boiling point
150.8 °C
logP
3.76Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
111-84-2
SMILES
CCCCCCCCC
InChIKey
BKIMMITUMNQMOS-UHFFFAOYSA-N
InChI
InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • n-Nonane
  • Shellsol 140
  • NSC 72430
  • Nonane-5-C12

Work with Nonane

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

Octane111-65-9100 % similar Dodecane112-40-3100 % similar Icosane112-95-8100 % similar Undecane1120-21-4100 % similar Decane124-18-5100 % similar Tetratriacontane14167-59-0100 % similar Heptane142-82-5100 % similar Tetracontane4181-95-7100 % similar

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

Same formula

4,4-Dimethyl heptane1068-19-5 2,2,4,4-Tetramethylpentane1070-87-7 2,2,4-Trimethylhexane16747-26-5 (±)-2,4-Dimethylheptane2213-23-2 3-Methyloctane2216-33-3 2-Methyloctane3221-61-2 2,2,5-Trimethylhexane3522-94-9 3,3-Dimethylheptane4032-86-4

Elsewhere

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