1,7-Dichlorooctane
Basic information
- CAS
56375-95-2- Standard SMILES
CC(Cl)CCCCCCCl- InChIKey
JSBUJUKPVVDBGE-UHFFFAOYSA-N- Molecular formula
- C8H16Cl2
- Average molar mass
- 183.12 g/mol
- Monoisotopic mass
- 182.0629059
Names & identifiers
- Preferred name
- 1,7-Dichlorooctane
- IUPAC
- 1,7-dichlorooctane
- English name
- 1,7-Dichlorooctane
- Molecular formula
- C8H16Cl2
- Molecular weight
- 183.12
Names & synonyms
1,7-Dichlorooctane56375-95-2SCHEMBL3797790DTXSID70621544JSBUJUKPVVDBGE-UHFFFAOYSA-NDB-301157Octane, 1,7-dichloro-
Database identifiers
- CAS
56375-95-2- PubChem CID
- 22016312
- DTXSID
DTXSID70621544- Nikkaji
- J97.453F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 64.3
Physicochemical properties
- Melting point
- 6.2 °C · 6.2°C (estimate)
- Boiling point
- 221.51 °C · 221.51°C (estimate)
- Density
- 1.0333 · 1.0333 (estimate)
- refractive index
- 1.4362 · 1.4362 (estimate)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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