Basic information
- CAS
55429-83-9- Standard SMILES
CCCCCCCCCCCCCCCCCC(CCCCCCCC)CCCCCCCC- InChIKey
CDTWRIBBCOMBSI-UHFFFAOYSA-N- Molecular formula
- C34H70
- Average molar mass
- 478.9 g/mol
- Monoisotopic mass
- 478.54775223
Names & identifiers
- Preferred name
- Hexacosane, 9-octyl-
- IUPAC
- 9-octylhexacosane
- English name
- 9-octylhexacosane
- Molecular formula
- C34H70
- Molecular weight
- 478.92
Names & synonyms
Hexacosane, 9-octyl-9-n-Octylhexacosane55429-83-9DTXSID50304681RefChem:145917DTXCID60255812CDTWRIBBCOMBSI-UHFFFAOYSA-N9-Octylhexacosane9-octyl-hexacosaneNSC1667859-Octylhexacosane #SCHEMBL38657396
Show more names
NSC-166785Q2818663
Database identifiers
- CAS
55429-83-9- PubChem CID
- 296567
- DTXSID
DTXSID50304681- Nikkaji
- J122.950H
Properties
Computed structural properties
- XLogP
- 18.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 30
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 25.45 °C · 25.45°C (estimate)
- Boiling point
- 475.97 °C · 475.97°C (estimate)
- Density
- 0.9034 · 0.9034 (estimate)
- refractive index
- 1.4538 · 1.4538 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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