Basic information
- CAS
1002-11-5- Standard SMILES
CCCCCCCC(Cl)CC- InChIKey
SMVZPOXWOUHGQI-UHFFFAOYSA-N- Molecular formula
- C10H21Cl
- Average molar mass
- 176.72 g/mol
- Monoisotopic mass
- 176.1331784
Overview
Decane, 3-chloro- is an organochlorine compound.
Names & identifiers
- Preferred name
- 3-Chlorodecane
- IUPAC
- 3-chlorodecane
- English name
- 3-Chlorodecane
- Molecular formula
- C10H21Cl
- Molecular weight
- 176.73
Names & synonyms
3-CHLORODECANEDecane, 3-chloro-1002-11-5UNII-4BFU2O835U4BFU2O835UDTXSID90905252RefChem:93511(+-)-3-CHLORODECANEDTXCID001334359SMVZPOXWOUHGQI-UHFFFAOYSA-N3-chloro-decaneSCHEMBL3688966
Show more names
SCHEMBL6934239SCHEMBL9645620SCHEMBL11833492(+/-)-3-CHLORODECANECHEBI:229401AKOS012767493Q27259376
Database identifiers
- CAS
1002-11-5- PubChem CID
- 13844
- DTXSID
DTXSID90905252- ChEBI
CHEBI:229401- UNII
- 4BFU2O835U
- Nikkaji
- J119.209D
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 71.3
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -31.3 °C · -31.3°C (estimate)
- Boiling point
- 226.39 °C · 226.39°C (estimate)
- Density
- 0.8704 · 0.8704 (estimate)
- refractive index
- 1.4267 · 1.4267 (estimate)
- FDA UNII
- 4 BFU2O835U · 4BFU2O835U
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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