Molecular properties
- Formula
- C5H10O2
- Molar mass
- 102.13 g·mol−1
- Exact mass
- 102.0681 Da
- 1
- 1
- 2
- 37.30 Ų
- 1.4 (PubChem computed XLogP3-AA descriptor)
- CAS
- 109-52-4
- PubChem CID
- 7991
Molecule record
Valeric acid
C5H10O2
102.13 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Carboxylic acid
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 1.4 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Butanecarboxylic acid
- 109-52-4
- 203-677-2
- Butanecarboxylic acid
- CHEBI:17418
- DTXCID801655
- DTXSID7021655
- FEMA No. 3101
Show all 22 synonyms
- GZK92PJM7B
- Kyselina valerova
- NSC-406833
- PENTANOIC ACID
- Pentanoate
- Propylacetic acid
- RefChem:6342
- VALERIC ACID, N-
- Valerianic acid
- Valeric acid, normal
- n-Pentanoate
- n-Pentanoic acid
- n-Valeric acid
- pentoic acid
Structure identifiers
- Canonical SMILES
- CCCCC(=O)O
- Isomeric SMILES
- CCCCC(=O)O
- InChI
- InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
- InChIKey
- NQPDZGIKBAWPEJ-UHFFFAOYSA-N
- PubChem CID
- 7991
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for Valeric acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Valeric acid; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.