Basic information
- CAS
4534-58-1- Standard SMILES
CCCCCCCCCCCC(CC)c1ccccc1- InChIKey
ILOABSZOHZMWLD-UHFFFAOYSA-N- Molecular formula
- C20H34
- Average molar mass
- 274.5 g/mol
- Monoisotopic mass
- 274.26605109
Names & identifiers
- Preferred name
- Benzene, (1-ethyldodecyl)-
- IUPAC
- tetradecan-3-ylbenzene
- English name
- 3-Phenyltetradecane
- Molecular formula
- C20H34
- Molecular weight
- 274.48
Names & synonyms
3-Phenyltetradecane4534-58-1Benzene, (1-ethyldodecyl)-Tetradecane, 3-phenyl-DTXSID70875287RefChem:323078DTXCID901013409ILOABSZOHZMWLD-UHFFFAOYSA-Ntetradecan-3-ylbenzene(tetradecan-3-yl)benzene(1-ETHYLDODECYL)BENZENE(1-Ethyldodecyl)benzene #
Show more names
SCHEMBL983398SCHEMBL28122396
Database identifiers
- CAS
4534-58-1- PubChem CID
- 20641
- DTXSID
DTXSID70875287- Nikkaji
- J109.625G
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
LogP9.29
Physicochemical properties
- Melting point
- -3 °C · -3 °C
- Boiling point
- 193 · 193-194 °C(Press: 12 Torr)
- Density
- 0.854 · 0.854±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 6.2 · 6.2×10-4 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- 3 · 3-Phenyltetradecane (4534-58-1)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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