3-Chlorooctane
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Basic information
- CAS
1117-79-9- Standard SMILES
CCCCCC(Cl)CC- InChIKey
FYNJWLOOBINARS-UHFFFAOYSA-N- Molecular formula
- C8H17Cl
- Average molar mass
- 148.67 g/mol
- Monoisotopic mass
- 148.1018782
Names & identifiers
- Preferred name
- 3-Chlorooctane
- IUPAC
- 3-chlorooctane
- English name
- 3-Chlorooctane
- Molecular formula
- C8H17Cl
- Molecular weight
- 148.67
Names & synonyms
3-ChlorooctaneOctane, 3-chloro-EINECS 214-253-1DTXSID10883649RefChem:93522DTXCID601023156214-253-1FYNJWLOOBINARS-UHFFFAOYSA-N1117-79-9EthylhexylchloridSCHEMBL2534214SCHEMBL4304048
Show more names
3-chloro-octan
SCHEMBL6262427SCHEMBL8865734SCHEMBL27559561AKOS011002496NS00045639
Database identifiers
- CAS
1117-79-9- PubChem CID
- 33575
- DTXSID
DTXSID10883649- EC Number
- 214-253-1
- Nikkaji
- J97.445E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 52
Experimental & physicochemical properties
Kovats Retention Index
1006；1006
1166
Physicochemical properties
- Melting point
- -41.9 °C · -41.9°C (estimate)
- Boiling point
- 178.66 °C · 178.66°C (estimate)
- Density
- 0.8765 · 0.8765 (estimate)
- refractive index
- 1.4181 · 1.4181 (estimate)
- EPA Substance Registry System
- 3 · Octane, 3-chloro- (1117-79-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctane, 3-chloro-: INACTIVE
Related reactions
2 records
Compound notes
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