Benzene, (1-butylnonyl)-
Basic information
- CAS
4534-50-3- Standard SMILES
CCCCCCCCC(CCCC)c1ccccc1- InChIKey
MZTIRLOLMGVVEK-UHFFFAOYSA-N- Molecular formula
- C19H32
- Average molar mass
- 260.5 g/mol
- Monoisotopic mass
- 260.25040102
Names & identifiers
- Preferred name
- Benzene, (1-butylnonyl)-
- IUPAC
- tridecan-5-ylbenzene
- English name
- 5-phenyltridecane
- Molecular formula
- C19H32
- Molecular weight
- 260.46
Names & synonyms
5-PhenyltridecaneBenzene, (1-butylnonyl)-4534-50-3tridecan-5-ylbenzeneTridecane, 5-phenyl-DTXSID90875204RefChem:117259DTXCID501013326MZTIRLOLMGVVEK-UHFFFAOYSA-N(Tridecan-5-yl)benzene(1-Butylnonyl)benzene #SCHEMBL983668
Show more names
(1-Butylnonyl)benzene
SCHEMBL6683946SCHEMBL11497473NS00095864Q67879637
Database identifiers
- CAS
4534-50-3- PubChem CID
- 20633
- DTXSID
DTXSID90875204- Nikkaji
- J144.903F
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
- 5 · 5-Phenyltridecane (4534-50-3)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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