1-decyl-4-phenylbenzene

• ChemBase ID: 295407
• Molecular Formular: C22H30
• Molecular Mass: 294.4736
• Monoisotopic Mass: 294.23475096
• SMILES: CCCCCCCCCCc1ccc(cc1)c1ccccc1
• Canonical SMILES: CCCCCCCCCCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C22H30/c1-2-3-4-5-6-7-8-10-13-20-16-18-22(19-17-20)21-14-11-9-12-15-21/h9,11-12,14-19H,2-8,10,13H2,1H3
• InChIKey: YYBDFGOLQQVHDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-decyl-4-phenylbenzene
• IUPAC Traditional name: 1-decyl-4-phenylbenzene
• Synonyms: 4-n-Decylbiphenyl; 4-正癸基联苯

Database IDs

• CAS Number: 93972-02-2
• MDL Number: MFCD00102117
• PubChem SID: 180680938
• PubChem CID: 2801612

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.135011
• LogD (pH = 7.4): 8.135011
• Log P: 8.135011
• Molar Refractivity: 97.6444 cm^3
• Polarizability: 39.883698 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 52-54°C
• Boiling Point: 204-210°C/1.5mm

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%