Molecular properties
- Formula
- C6H12O2
- Molar mass
- 116.16 g·mol−1
- Exact mass
- 116.0837 Da
- 1
- 1
- 2
- 37.30 Ų
- 1.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 142-62-1
- PubChem CID
- 8892
Molecule record
Caproic acid
C6H12O2
116.16 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 | 1.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Hexanoic acid
- 1-Pentanecarboxylic acid
- 142-62-1
- 1F8SN134MX
- Butylacetic acid
- Capronic acid
- DTXSID7021607
- FEMA No. 2559
Show all 22 synonyms
- HEXANOIC ACID
- Hexacid 698
- Hexoic acid
- Hexylic acid
- Kyselina kapronova
- NSC-8266
- NSC8266
- Pentanecarboxylic acid
- Pentiformic acid
- Pentylformic acid
- n-Caproic acid
- n-Hexanoic acid
- n-Hexoic acid
- n-Hexylic acid
Structure identifiers
- Canonical SMILES
- CCCCCC(=O)O
- Isomeric SMILES
- CCCCCC(=O)O
- InChI
- InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
- InChIKey
- FUZZWVXGSFPDMH-UHFFFAOYSA-N
- PubChem CID
- 8892
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 Caproic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Caproic 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.