Valeric acid
Properties
- Molecular formula
- C5H10O2
- Molar mass
- 102.13 g/mol
- Exact mass
- 102.0681 Da
- Density
- 0.939 g/mL (at 20 °C)
- Melting point
- −34.5 °C
- Boiling point
- 186–187 °C
- pKa
- 4.842 (25 °C)
- Flash point
- 86 °C (closed cup)
- Water solubility
- 24 g/L
- logP
- 1.26Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
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 607-143-00-3), 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
109-52-4SMILES
CCCCC(=O)OInChIKey
NQPDZGIKBAWPEJ-UHFFFAOYSA-NInChI
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Pentanoic acid
- 1-Butanecarboxylic acid
- Propylacetic acid
- n-Valeric acid
- n-Pentanoic acid
- NSC 406833
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 109-52-4. Each row opens the sheet with its composition and PDF.
Work with Valeric 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
Caproic acid142-62-186 % similar
Pentadecylic acid1002-84-282 % similar
Enanthic acid111-14-882 % similar
Pelargonic acid112-05-082 % similar
Undecylic acid112-37-882 % similar
Behenic acid112-85-682 % similar
Caprylic acid124-07-282 % similar
Lauric acid143-07-782 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds