Basic information
- CAS
4534-49-0- Standard SMILES
CCCCCCCC(CCCCC)c1ccccc1- InChIKey
OTSYFFDVDLHIKX-UHFFFAOYSA-N- Molecular formula
- C19H32
- Average molar mass
- 260.5 g/mol
- Monoisotopic mass
- 260.25040102
Names & identifiers
- Preferred name
- Benzene, (1-pentyloctyl)-
- IUPAC
- tridecan-6-ylbenzene
- English name
- 1-Pentyloctylbenzene
- Molecular formula
- C19H32
- Molecular weight
- 260.46
Names & synonyms
tridecan-6-ylbenzeneBenzene, (1-pentyloctyl)-DTXSID30875203RefChem:1078201DTXCID8010133256-Phenyltridecane4534-49-0Tridecane, 6-phenyl-(tridecan-6-yl)benzene1-Pentyloctylbenzene6--phenyltridecane(1-Pentyloctyl)benzene #
Show more names
(1-Pentyloctyl)benzene
SCHEMBL983560SCHEMBL6681486
Database identifiers
- CAS
4534-49-0- PubChem CID
- 20632
- DTXSID
DTXSID30875203- Nikkaji
- J144.902H
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
LogP8.56
Physicochemical properties
- Boiling point
- 339.6 · 339.6±9.0 °C(Predicted)
- Density
- 0.855 · 0.855±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 1.5 · 1.5×10-4 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- 6 · 6-Phenyltridecane (4534-49-0)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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