Caprylic acid
Properties
- Molecular formula
- C8H16O2
- Molar mass
- 144.21 g/mol
- Exact mass
- 144.1150 Da
- Density
- 0.91 g/mL (at 20 °C)
- Melting point
- 16.7 °C
- Boiling point
- 239.7 °C
- Critical temperature
- 421.1 °C (694.3 K)ChemSep
- Critical pressure
- 27.79 barChemSep
- Acentric factor
- 0.773ChemSep
- Enthalpy of formation (gas)
- −556.00 kJ/molChemSep
- pKa
- 4.895 (25 °C)
- Water solubility
- < 1 g/L (17.8 °C)
- logP
- 2.43Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 6
Hazards
Danger
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 607-708-00-4), via PubChem.
Precautionary statements
P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
124-07-2SMILES
CCCCCCCC(=O)OInChIKey
WWZKQHOCKIZLMA-UHFFFAOYSA-NInChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 11.50 (br s, 1H), 2.38 (t, J = 7.0 Hz, 2H), 1.57 (quint, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 0.86 (t, J = 7.0 Hz, 3H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 180.3, 34.1, 32.5, 29.7, 29.7, 25.1, 23.1, 14.0.[M + H]+
[M + H]+ Calcd for C8H17O2 145.1223[M + Na]+
[M + Na]+ Calcd for C8H16NaO2 167.1043[M − H]−
[M − H]− Calcd for C8H15O2 143.1078Elemental analysis
Anal. Calcd for C8H16O2: C, 66.63; H, 11.18.Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
22 names · show all
- Octanoic acid
- n-Caprylic acid
- neo-Fat 8
- 1-Heptanecarboxylic acid
- n-Octoic acid
- Octylic acid
- n-Octylic acid
- n-Octanoic acid
- Lunac 8-95
- NAA 82
- Prifac 2901
- Lunac 8-98
- neo-Fat 8S
- Kortacid 0899
- Emery 657
- NSC 5024
- Edenor C 8-98-100
- Cg 100 (fatty acid)
- Cg 100
- Edenor 8-99MY
- Edenor C 8-99MY
- MCFA 8S
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 124-07-2. Each row opens the sheet with its composition and PDF.
Work with Caprylic 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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Pentadecylic acid1002-84-2100 % similar
Enanthic acid111-14-8100 % similar
Pelargonic acid112-05-0100 % similar
Undecylic acid112-37-8100 % similar
Behenic acid112-85-6100 % 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.