Molecular properties
- Formula
- C5H12
- Molar mass
- 72.15 g·mol−1
- Exact mass
- 72.0939 Da
- 0
- 0
- 0
- 0.00 Ų
- 3.4 (PubChem computed XLogP3-AA descriptor)
- CAS
- 109-66-0
- PubChem CID
- 8003
Molecule record
PENTANE
C5H12
72.15 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- 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
No functional-group assignment has been curated yet.
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 3.4 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 109-66-0
- 203-692-4
- 4FEX897A91
- Amyl hydride
- CHEBI:37830
- DTXCID705846
- DTXSID2025846
- MFCD00009498
Show all 22 synonyms
- NSC 72415
- NSC-72415
- Normal Pentane
- Pentan
- Pentanen
- Pentanes
- Pentani
- RefChem:6667
- Skellysolve A
- Tetrafume
- Tetrakil
- Tetraspot
- n-Pentane
- npentane
Structure identifiers
- Canonical SMILES
- CCCCC
- Isomeric SMILES
- CCCCC
- InChI
- InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
- InChIKey
- OFBQJSOFQDEBGM-UHFFFAOYSA-N
- PubChem CID
- 8003
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for PENTANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for PENTANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.