Molecular properties
- Formula
- C8H17Cl
- Molar mass
- 148.67 g·mol−1
- Exact mass
- 148.1019 Da
- 0
- 0
- 0
- 0.00 Ų
- 4.7 (PubChem computed XLogP3-AA descriptor)
- CAS
- 111-85-3
- PubChem CID
- 8142
Molecule record
1-CHLOROOCTANE
C8H17Cl
148.67 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 | 4.7 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-CHLOROOCTANE [HSDB]
- 1-Octyl chloride
- 111-85-3
- 1Octyl chloride
- 203-915-5
- CHLOROOCTANE
- Capryl chloride
- DTXCID501543
Show all 22 synonyms
- DTXSID0021543
- E1047328LO
- EC 203-915-5
- EINECS 203-915-5
- HSDB 5551
- InChI=1/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H
- NSC 5406
- NSC-5406
- Octane, 1-chloro-
- Octane, 1chloro
- Octyl chloride
- RefChem:431503
- n-Octyl chloride
- nOctyl chloride
Structure identifiers
- Canonical SMILES
- CCCCCCCCCl
- Isomeric SMILES
- CCCCCCCCCl
- InChI
- InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
- InChIKey
- CNDHHGUSRIZDSL-UHFFFAOYSA-N
- PubChem CID
- 8142
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-CHLOROOCTANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-CHLOROOCTANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.