Molecular properties
- Formula
- C8H17Cl
- Molar mass
- 148.67 g·mol−1
- Exact mass
- 148.1019 Da
- 0
- 0
- 0
- 0.00 Ų
- 4.2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 628-61-5
- PubChem CID
- 12347
Molecule record
2-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
No functional-group assignment has been curated yet.
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 4.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (+-)-2-CHLOROOCTANE
- 0H8W4Y2ETW
- 1-Methylheptyl chloride
- 1Methylheptyl chloride
- 2-Octyl chloride
- 2-chloro-octane
- 211-046-8
- 2Octyl chloride
Show all 22 synonyms
- 628-61-5
- DTXCID80818428
- DTXSID70870732
- EINECS 211-046-8
- HKDCIIMOALDWHF-UHFFFAOYSA-N
- NSC 5407
- NSC-5407
- Octane, 2-chloro-
- Octane, 2chloro
- RefChem:86517
- SCHEMBL1529968
- SCHEMBL2533559
- UNII-0H8W4Y2ETW
- hexylchloroethane
Structure identifiers
- Canonical SMILES
- CCCCCCC(C)Cl
- Isomeric SMILES
- CCCCCCC(C)Cl
- InChI
- InChI=1S/C8H17Cl/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3
- InChIKey
- HKDCIIMOALDWHF-UHFFFAOYSA-N
- PubChem CID
- 12347
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 2-CHLOROOCTANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-CHLOROOCTANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.