Molecular properties
- Formula
- C8H17I
- Molar mass
- 240.12 g·mol−1
- Exact mass
- 240.0375 Da
- 0
- 0
- 0
- 0.00 Ų
- 5.2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 629-27-6
- PubChem CID
- 12380
Molecule record
1-IODOOCTANE
C8H17I
240.12 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
Alkyl halide
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 5.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Jodoktan
- 1-Octyl iodide
- 1-n-Octyl iodide
- 1Jodoktan
- 1Octyl iodide
- 1nOctyl iodide
- 211-084-5
- 4-01-00-00425 (Beilstein Handbook Reference)
Show all 22 synonyms
- 629-27-6
- BRN 1697479
- DTXCID3043570
- DTXSID4060868
- EINECS 211-084-5
- InChI=1/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
- Octane, 1-iodo-
- Octane, 1iodo
- Octyl iodide
- RefChem:76103
- UWLHSHAHTBJTBA-UHFFFAOYSA-
- UWLHSHAHTBJTBA-UHFFFAOYSA-N
- n-Octyl iodide
- nOctyl iodide
Structure identifiers
- Canonical SMILES
- CCCCCCCCI
- Isomeric SMILES
- CCCCCCCCI
- InChI
- InChI=1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
- InChIKey
- UWLHSHAHTBJTBA-UHFFFAOYSA-N
- PubChem CID
- 12380
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 1-IODOOCTANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-IODOOCTANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.