1-hexyl-4-phenylbenzene

• ChemBase ID: 79585
• Molecular Formular: C18H22
• Molecular Mass: 238.36728
• Monoisotopic Mass: 238.1721507
• SMILES: CCCCCCc1ccc(cc1)c1ccccc1
• Canonical SMILES: CCCCCCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C18H22/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h5,7-8,10-15H,2-4,6,9H2,1H3
• InChIKey: XRPVQXPWEVJKTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hexyl-4-phenylbenzene
• IUPAC Traditional name: 1-hexyl-4-phenylbenzene
• Synonyms: 4-n-Hexylbiphenyl; 4-hexyl-1,1'-biphenyl; 4-正己基联苯

Database IDs

• CAS Number: 59662-31-6
• EC Number: 261-845-0
• MDL Number: MFCD00009527
• PubChem SID: 162044348
• PubChem CID: 108797

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3567357
• LogD (pH = 7.4): 6.3567357
• Log P: 6.3567357
• Molar Refractivity: 79.2404 cm^3
• Polarizability: 32.505333 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 29-31°C
• Boiling Point: 148-150°C/2mm
• Flash Point: >110°C(230°F)
• Density: 0.988

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%