Basic information
- CAS
2398-65-4- Standard SMILES
CCCCCCCCCCCC(CCCCCCCC)c1ccccc1- InChIKey
KZUKFVROQBTEQY-UHFFFAOYSA-N- Molecular formula
- C26H46
- Average molar mass
- 358.6 g/mol
- Monoisotopic mass
- 358.35995147
Names & identifiers
- Preferred name
- 9-Phenyleicosane
- IUPAC
- icosan-9-ylbenzene
- English name
- (1-Octyldodecyl)benzene.
- Molecular formula
- C26H46
- Molecular weight
- 358.64
Names & synonyms
9-PHENYLEICOSANE2398-65-4Eicosane, 9-phenyl-Benzene, (1-octyldodecyl)-NSC 102255RefChem:108187KZUKFVROQBTEQY-UHFFFAOYSA-Nicosan-9-ylbenzene(Icosan-9-yl)benzeneBenzene,(1-octyldodecyl)-NSC102255(1-Octyldodecyl)benzene #
Show more names
9-Phenylicosane(1-Octyldodecyl)benzene.
DTXSID60870968NSC-102255DS-006672
Database identifiers
- CAS
2398-65-4- PubChem CID
- 16973
- DTXSID
DTXSID60870968- Nikkaji
- J114.109K
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 18
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 17.9 °C · 17.9°C
- Boiling point
- 426.03 °C · 426.03°C (estimate)
- Density
- 0.8632 · 0.8632 (estimate)
- refractive index
- 1.479 · 1.4790
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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