Tridecylic acid
Properties
- Molecular formula
- C13H26O2
- Molar mass
- 214.35 g/mol
- Exact mass
- 214.1933 Da
- Density
- 0.9582 g/mL (at 20 °C)
- Melting point
- 44.5 °C
- Boiling point
- 312.4 °C
- logP
- 4.38Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 11
Hazards
Warning
- H315 Causes skin irritation98.7% of notifiers
- H319 Causes serious eye irritation98.7% of notifiers
- H335 May cause respiratory irritation98.1% of notifiers
Aggregated from 159 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
638-53-9SMILES
CCCCCCCCCCCCC(=O)OInChIKey
SZHOJFHSIKHZHA-UHFFFAOYSA-NInChI
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Tridecanoic acid
- n-Tridecoic acid
- n-Tridecanoic acid
- NSC 25955
- NSC 69131
Work with Tridecylic 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. All similar compounds