2-Phenyltridecane
Basic information
- CAS
4534-53-6- Standard SMILES
CCCCCCCCCCCC(C)c1ccccc1- InChIKey
FCXPVFLEDIQLLO-UHFFFAOYSA-N- Molecular formula
- C19H32
- Average molar mass
- 260.5 g/mol
- Monoisotopic mass
- 260.25040102
Overview
(1-methyldodecyl)-Benzene is a member of benzenes.
Names & identifiers
- Preferred name
- 2-Phenyltridecane
- IUPAC
- tridecan-2-ylbenzene
- English name
- 2-Phenyltridecane
- Molecular formula
- C19H32
- Molecular weight
- 260.46
Names & synonyms
2-Phenyltridecanetridecan-2-ylbenzeneRefChem:10641794534-53-6Benzene, (1-methyldodecyl)-Tridecane, 2-phenyl-(Tridecan-2-yl)benzene2--phenyltridecane(1-methyldodecyl)-Benzene(1-Methyldodecyl)benzene #SCHEMBL980142SCHEMBL1412787
Show more names
1-Methyldodecylbenzene(1-Methyldodecyl)benzene
SCHEMBL20854148DTXSID20863412CHEBI:183286NS00076515Q67879585
Database identifiers
- CAS
4534-53-6- PubChem CID
- 20636
- DTXSID
DTXSID20863412- ChEBI
CHEBI:183286- Nikkaji
- J110.692I
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
Chemical ClassesAlkylbenzene
LogP8.77
Physicochemical properties
- Boiling point
- 105 · 105-109 °C(Press: 0.3 Torr)
- Density
- 0.855 · 0.855±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 2.7 · 2.7×10-4 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- LogP
- 8.77 · 8.770
- EPA Substance Registry System
- 2 · 2-Phenyltridecane (4534-53-6)
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: (1-methyldodecyl)-Benzene is a member of benzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…