2-Phenyleicosane
Basic information
- CAS
2398-66-5- Standard SMILES
CCCCCCCCCCCCCCCCCCC(C)c1ccccc1- InChIKey
GWTSUVHHMPSJLJ-UHFFFAOYSA-N- Molecular formula
- C26H46
- Average molar mass
- 358.6 g/mol
- Monoisotopic mass
- 358.35995147
Names & identifiers
- Preferred name
- 2-Phenyleicosane
- IUPAC
- icosan-2-ylbenzene
- English name
- 1-Methylnonadecylbenzene
- Molecular formula
- C26H46
- Molecular weight
- 358.64
Names & synonyms
2-PHENYLEICOSANEEicosane, 2-phenyl-Benzene, (1-methylnonadecyl)-2398-66-5(Icosan-2-yl)benzene2-phenyl-eicosaneNSC163588(1-Methylnonadecyl)benzene #SCHEMBL16167490SCHEMBL18045476DTXSID20870969NSC 163588
Show more names
1-Methylnonadecylbenzene(1-Methylnonadecyl)benzene
NSC-163588
Database identifiers
- CAS
2398-66-5- PubChem CID
- 16974
- DTXSID
DTXSID20870969- Nikkaji
- J129.542J
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 °C · 29°C
- Boiling point
- 426.03 °C · 426.03°C (estimate)
- Density
- 0.8632 · 0.8632 (estimate)
- refractive index
- 1.4795 · 1.4795
Chemistry & industry
Upstream & downstream products
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