Basic information
- CAS
6006-90-2- Standard SMILES
CCCCCCCCCCCCC(CCCCCCCCCCCC)c1ccccc1- InChIKey
FARZSOUCOJBKMW-UHFFFAOYSA-N- Molecular formula
- C31H56
- Average molar mass
- 428.8 g/mol
- Monoisotopic mass
- 428.43820179
Names & identifiers
- Preferred name
- Pentacosane, 13-phenyl-
- IUPAC
- pentacosan-13-ylbenzene
- English name
- 13-Phenylpentacosane
- Molecular formula
- C31H56
- Molecular weight
- 428.78
Names & synonyms
Pentacosane, 13-phenyl-Benzene, (1-dodecyltridecyl)-6006-90-2DTXSID80208789NSC 159915RefChem:171323DTXCID80131280FARZSOUCOJBKMW-UHFFFAOYSA-N13-Phenylpentacosanepentacosan-13-ylbenzene(pentacosan-13-yl)benzeneNSC159915
Show more names
(1-Dodecyltridecyl)benzene #SCHEMBL3653247SCHEMBL11867860NSC-159915
Database identifiers
- CAS
6006-90-2- PubChem CID
- 138643
- DTXSID
DTXSID80208789- Nikkaji
- J114.619J
Properties
Computed structural properties
- XLogP
- 15
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 23
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 31.7 °C · 31.7°C
- Boiling point
- 478.55 °C · 478.55°C (estimate)
- Density
- 0.9 · 0.9000 (estimate)
- refractive index
- 1.4787 · 1.4787
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…