5-Phenyleicosane
Basic information
- CAS
2400-04-6- Standard SMILES
CCCCCCCCCCCCCCCC(CCCC)c1ccccc1- InChIKey
KINRJYWUZLHOKP-UHFFFAOYSA-N- Molecular formula
- C26H46
- Average molar mass
- 358.6 g/mol
- Monoisotopic mass
- 358.35995147
Names & identifiers
- Preferred name
- 5-Phenyleicosane
- IUPAC
- icosan-5-ylbenzene
- English name
- (1-Butylhexadecyl)benzene.
- Molecular formula
- C26H46
- Molecular weight
- 0
Names & synonyms
5-PHENYLEICOSANEBenzene, (1-butylhexadecyl)-2400-04-6NSC 219885RefChem:103394KINRJYWUZLHOKP-UHFFFAOYSA-NEicosane, 5-phenyl-(icosan-5-yl)benzene5-phenyl-eicosaneNSC219885(1-Butylhexadecyl)benzene #DTXSID50870972
Show more names
(1-Butylhexadecyl)benzene.
NSC-219885
Database identifiers
- CAS
2400-04-6- PubChem CID
- 16983
- DTXSID
DTXSID50870972- Nikkaji
- J129.541A
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
- 30.2 °C · 30.2°C
- Boiling point
- 426.03 °C · 426.03°C (estimate)
- Density
- 0.8632 · 0.8632 (estimate)
- refractive index
- 1.4796 · 1.4796
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Related reactions
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Compound notes
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