Basic information
- CAS
62016-79-9- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCl- InChIKey
SHDKPHGPBNHILS-UHFFFAOYSA-N- Molecular formula
- C27H55Cl
- Average molar mass
- 415.2 g/mol
- Monoisotopic mass
- 414.3992294
Names & identifiers
- Preferred name
- 1-Chloroheptacosane
- IUPAC
- 1-chloroheptacosane
- English name
- Heptacosane,1-chloro
- Molecular formula
- C27H55Cl
- Molecular weight
- 415.18
Names & synonyms
1-Chloroheptacosane62016-79-9DTXSID70873081RefChem:1055274DTXCID10820579Heptacosane, 1-chloro-1-Chloroheptacosane #SCHEMBL5575243SCHEMBL10687324SHDKPHGPBNHILS-UHFFFAOYSA-NHeptacosane,1-chloro
Database identifiers
- CAS
62016-79-9- PubChem CID
- 545593
- DTXSID
DTXSID70873081- Nikkaji
- J97.528A
Properties
Computed structural properties
- XLogP
- 15
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 25
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 62 °C · 62°C
- Boiling point
- 502.25 °C · 502.25°C (rough estimate)
- Density
- 0.8871 · 0.8871 (rough estimate)
- refractive index
- 1.4722 · 1.4722 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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