3-Phenyleicosane
Basic information
- CAS
2400-02-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(CC)c1ccccc1- InChIKey
KPJGRQMPFRXLSD-UHFFFAOYSA-N- Molecular formula
- C26H46
- Average molar mass
- 358.6 g/mol
- Monoisotopic mass
- 358.35995147
Names & identifiers
- Preferred name
- 3-Phenyleicosane
- IUPAC
- icosan-3-ylbenzene
- English name
- (1-Ethyloctadecyl)benzene
- Molecular weight
- 0
Names & synonyms
3-PHENYLEICOSANEEicosane, 3-phenyl-Benzene, (1-ethyloctadecyl)-2400-02-4NSC 21988472557-70-1RefChem:95329KPJGRQMPFRXLSD-UHFFFAOYSA-N(Icosan-3-yl)benzeneNSC219884(1-Ethyloctadecyl)benzene #SCHEMBL28750560
Show more names
3-Phenylicosane(1-Ethyloctadecyl)benzene
DTXSID30870970NSC-219884
Database identifiers
- CAS
2400-02-4、72557-70-1- PubChem CID
- 16981
- DTXSID
DTXSID30870970- Nikkaji
- J114.126K
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
- 29.3 °C · 29.3°C
- Boiling point
- 426.03 °C · 426.03°C (estimate)
- Density
- 0.8632 · 0.8632 (estimate)
- refractive index
- 1.4796 · 1.4796
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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