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
pKa
4.95 (25 °C)
Flash point
133 °C (open cup)
Water solubility
284 mg/L (30 °C)
logP
2.82Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 607-197-00-8), via PubChem.

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P501

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

Reactions

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

Similar compounds

Pentadecylic acid1002-84-2100 % similar Enanthic acid111-14-8100 % similar Undecylic acid112-37-8100 % similar Behenic acid112-85-6100 % similar Caprylic acid124-07-2100 % similar Lauric acid143-07-7100 % similar Heneicosylic acid2363-71-5100 % similar Tricosylic acid2433-96-7100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isoamyl butyrate106-27-4 Ethyl heptanoate106-30-9 Butyl isovalerate109-19-3 Methyl octanoate111-11-5 Heptyl acetate112-06-1 Butyl 2-methyl butyrate15706-73-7 4-Methyl-2-pentyl-1,3-dioxolane1599-49-1 tert-Butyl trimethylacetate16474-43-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia