chempirical

Pelargonic acid

C9H18O2CAS 112-05-0158.24 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C9H18O2
Molar mass
158.24 g/mol
Exact mass
158.1307 Da
Density
0.9052 g/mL (at 20 °C)
Melting point
12.5 °C
Boiling point
252–253 °C
logP
2.82Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Identifiers

CAS number
112-05-0
SMILES
CCCCCCCCC(=O)O
InChIKey
FBUKVWPVBMHYJY-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

14 names · show all
  • Nonanoic acid
  • Nonoic acid
  • n-Nonoic acid
  • Nonylic acid
  • 1-Octanecarboxylic acid
  • n-Nonylic acid
  • n-Nonanoic acid
  • n-Pelargonic acid
  • Grantrico
  • NSC 62787
  • NSC 65450
  • NSC 65455
  • Emery 1203
  • Thinex

Work with Pelargonic acid

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

Same formula

Isoamyl butyrate106-27-4 Ethyl heptanoate106-30-9 Butyl isovalerate109-19-3 Methyl octanoate111-11-5 Heptyl acetate112-06-1 (±)-Butyl 2-methylbutanoate15706-73-7 4-Methyl-2-pentyl-1,3-dioxolane1599-49-1 Isoamyl isobutyrate2050-01-3

Elsewhere

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