2-Phenyltetradecane
Basic information
- CAS
4534-59-2- Standard SMILES
CCCCCCCCCCCCC(C)c1ccccc1- InChIKey
GDFUGKICRHMMOT-UHFFFAOYSA-N- Molecular formula
- C20H34
- Average molar mass
- 274.5 g/mol
- Monoisotopic mass
- 274.26605109
Names & identifiers
- Preferred name
- 2-Phenyltetradecane
- IUPAC
- tetradecan-2-ylbenzene
- English name
- 2-phenyltetradecane
- Molecular formula
- C20H34
- Molecular weight
- 274.48
Names & synonyms
2-Phenyltetradecane4534-59-2tetradecan-2-ylbenzeneBenzene, (1-methyltridecyl)-Benzene,(1-methyltridecyl)-Tetradecane, 2-phenyl-(1-METHYLTRIDECYL)BENZENE(Tetradecan-2-yl)benzene2-phenyltetrade-cane(1-Methyltridecyl)benzene #SCHEMBL3223557SCHEMBL4453742
Show more names
1-Methyltridecylbenzene
SCHEMBL4562598SCHEMBL8509010SCHEMBL20774444DTXSID80863413NS00121565
Database identifiers
- CAS
4534-59-2- PubChem CID
- 20642
- DTXSID
DTXSID80863413- Nikkaji
- J113.352G
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
LogP9.29
Physicochemical properties
- Henry's Law Constant
- 6.7 · 6.7×10-4 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- 2 · 2-Phenyltetradecane (4534-59-2)
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Related reactions
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Compound notes
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