1,4-Dichloroheptane
Basic information
- CAS
6223-76-3- Standard SMILES
CCCC(Cl)CCCCl- InChIKey
MAHAWVMUURHVNO-UHFFFAOYSA-N- Molecular formula
- C7H14Cl2
- Average molar mass
- 169.09 g/mol
- Monoisotopic mass
- 168.0472558
Names & identifiers
- Preferred name
- 1,4-Dichloroheptane
- IUPAC
- 1,4-dichloroheptane
- English name
- 1,4-Dichloroheptane
- Molecular formula
- C7H14Cl2
- Molecular weight
- 169.09
Names & synonyms
SCHEMBL1784504SCHEMBL7071612MAHAWVMUURHVNO-UHFFFAOYSA-NAKOS0063845631,4-DichloroheptaneHeptane, 1,4-dichloro-
Database identifiers
- CAS
6223-76-3- PubChem CID
- 54299703
- Nikkaji
- J97.433A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 54.9
Physicochemical properties
- Melting point
- 23.5 °C · 23.5°C (estimate)
- Boiling point
- 198.96 °C · 198.96°C (estimate)
- Density
- 1.0554 · 1.0554 (estimate)
- refractive index
- 1.4315 · 1.4315 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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