5-Phenyldodecane - CAS 2719-63-3
Catalog: |
BB054326 |
Product Name: |
5-Phenyldodecane |
CAS: |
2719-63-3 |
Synonyms: |
Benzene, (1-butyloctyl)-; Dodecane, 5-phenyl-; alpha-butyloctylbenzene; (1-Butyloctyl)benzene; 5-Dodecanylbenzene; 5-Dodecanylbenzol |
IUPAC Name: | dodecan-5-ylbenzene |
Molecular Weight: | 246.43 |
Molecular Formula: | C18H30 |
Canonical SMILES: | CCCCCCCC(CCCC)C1=CC=CC=C1 |
InChI: | InChI=1S/C18H30/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3 |
InChI Key: | NPAWGLOPXKCTCV-UHFFFAOYSA-N |
Boiling Point: | 113°C at 0.4 Torr |
Purity: | ≥95% |
Density: | 0.8485±0.1 g/cm3 |
Vapor Pressure: | 0.000584 [mmHg] |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.234750957 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.234750957 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.9 |
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