Molecular properties
- Formula
- C7H16
- Molar mass
- 100.20 g·mol−1
- Exact mass
- 100.1252 Da
- 0
- 0
- 0
- 0.00 Ų
- 4.4 (PubChem computed XLogP3-AA descriptor)
- CAS
- 142-82-5
- PubChem CID
- 8900
Molecule record
HEPTANE
C7H16
100.20 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 | 4.4 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 142-82-5
- 205-563-8
- 456148SDMJ
- CHEBI:43098
- DTXCID004127
- DTXSID6024127
- Dipropyl methane
- Dipropylmethane
Show all 22 synonyms
- Eptani
- Gettysolve-C
- Heptan
- Heptan [Polish]
- Heptanen
- Heptyl hydride
- MFCD00009544
- NSC 62784
- NSC-62784
- Pentane, ethyl-
- RefChem:6645
- Skellysolve C
- n-Heptane
- normal-Heptane
Structure identifiers
- Canonical SMILES
- CCCCCCC
- Isomeric SMILES
- CCCCCCC
- InChI
- InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
- InChIKey
- IMNFDUFMRHMDMM-UHFFFAOYSA-N
- PubChem CID
- 8900
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 HEPTANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for HEPTANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.