Basic information
- CAS
2400-03-5- Standard SMILES
CCCCCCCCCCCCCCCCC(CCC)c1ccccc1- InChIKey
RFNYELHDUBVQMR-UHFFFAOYSA-N- Molecular formula
- C26H46
- Average molar mass
- 358.6 g/mol
- Monoisotopic mass
- 358.35995147
Names & identifiers
- Preferred name
- 4-Phenyleicosane
- IUPAC
- icosan-4-ylbenzene
- English name
- (1-Propylheptadecyl)benzene.
- Molecular formula
- C26H46
- Molecular weight
- 358.64
Names & synonyms
4-PHENYLEICOSANEEicosane, 4-phenyl-2400-03-5Benzene, (1-propylheptadecyl)-(Icosan-4-yl)benzene4-phenyl-eicosaneNSC123364(1-Propylheptadecyl)benzene #SCHEMBL31175819DTXSID90870971RFNYELHDUBVQMR-UHFFFAOYSA-NNSC 123364
Show more names
4-Phenylicosane(1-Propylheptadecyl)benzene.
NSC-1233645134-83-8
Database identifiers
- CAS
2400-03-5- PubChem CID
- 16982
- DTXSID
DTXSID90870971- Nikkaji
- J114.108B
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 18
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 31.4 °C · 31.4°C
- Boiling point
- 426.03 °C · 426.03°C (estimate)
- Density
- 0.8632 · 0.8632 (estimate)
- refractive index
- 1.4794 · 1.4794
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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