Arachidic acid
Properties
- Molecular formula
- C20H40O2
- Molar mass
- 312.54 g/mol
- Exact mass
- 312.3028 Da
- Melting point
- 75.4 °C
- Boiling point
- 328 °C
- Critical temperature
- 565.9 °C (839.0 K)ChemSep
- Critical pressure
- 12.6 barChemSep
- Acentric factor
- 1.082ChemSep
- Enthalpy of formation (gas)
- −806.00 kJ/molChemSep
- logP
- 7.11Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 18
Hazards
Warning
- H315 Causes skin irritation89.8% of notifiers
- H319 Causes serious eye irritation89.8% of notifiers
- H335 May cause respiratory irritation53% of notifiers
Aggregated from 285 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
506-30-9SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OInChIKey
VKOBVWXKNCXXDE-UHFFFAOYSA-NInChI
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)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), 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), 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), 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, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.0, 30.0, 29.7, 25.1, 23.1, 14.0.[M + H]+
[M + H]+ Calcd for C20H41O2 313.3101[M + Na]+
[M + Na]+ Calcd for C20H40NaO2 335.2921[M − H]−
[M − H]− Calcd for C20H39O2 311.2956Elemental analysis
Anal. Calcd for C20H40O2: C, 76.86; H, 12.90.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Eicosanoic acid
- Arachic acid
- n-Eicosanoic acid
- Icosanoic acid
- NSC 93983
- n-Eicosanic acid
- C20 Fatty acid
- C 20
- Peanut acid
Work with Arachidic 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
Pelargonic acid112-05-0100 % 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
Tanimoto similarity of circular fingerprints over the whole catalogue.