6-Phenylundecane
Basic information
- CAS
4537-14-8- Standard SMILES
CCCCCC(CCCCC)c1ccccc1- InChIKey
WCABIRIFXVXGQH-UHFFFAOYSA-N- Molecular formula
- C17H28
- Average molar mass
- 232.4 g/mol
- Monoisotopic mass
- 232.21910089
Overview
6-phenylundecane is an alkylbenzene comprising undecane substituted at position 6 by a phenyl group.
Names & identifiers
- Preferred name
- 6-Phenylundecane
- IUPAC
- undecan-6-ylbenzene
- English name
- 6-phenylundecane
- Molecular formula
- C17H28
- Molecular weight
- 232.4
Names & synonyms
6-PHENYLUNDECANE4537-14-8DTXSID5075446CHEBI:77514RefChem:1074135DTXCID1040407Benzene, (1-pentylhexyl)-undecan-6-ylbenzeneUndecane, 6-phenyl-(1-Pentylhexyl)benzene(Undecan-6-yl)benzenealpha-pentylhexylbenzene
Show more names
a-Pentylhexylbenzene(1-Pentylhexyl)benzene #SCHEMBL982653SCHEMBL983798SCHEMBL7169115WCABIRIFXVXGQH-UHFFFAOYSA-NNS00095912Q27147095
Database identifiers
- CAS
4537-14-8- PubChem CID
- 20660
- DTXSID
DTXSID5075446- ChEBI
CHEBI:77514- Nikkaji
- J144.891I
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
Chemical ClassesAlkylbenzene
LogP7.45
Physicochemical properties
- Boiling point
- 122 · 122-124 °C(Press: 3 Torr)
- Density
- 0.8038 g/cm3 · 0.8038 g/cm3
- Henry's Law Constant
- 6.4 · 6.4×10-5 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- 6 · 6-Phenylundecane (4537-14-8)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: An alkylbenzene comprising undecane substituted at position 6 by a phenyl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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