1-phenyl-4-propylbenzene

• ChemBase ID: 77114
• Molecular Formular: C15H16
• Molecular Mass: 196.28754
• Monoisotopic Mass: 196.12520051
• SMILES: CCCc1ccc(cc1)c1ccccc1
• Canonical SMILES: CCCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C15H16/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3
• InChIKey: NAYIXKXYHOLMRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-4-propylbenzene
• IUPAC Traditional name: 1-phenyl-4-propylbenzene
• Synonyms: 4-n-Propylbiphenyl; 4-Propylbiphenyl; 4-正丙基联苯

Database IDs

• CAS Number: 10289-45-9; 71294-42-3
• MDL Number: MFCD00102114
• PubChem SID: 162041988
• PubChem CID: 2734126

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.02303
• LogD (pH = 7.4): 5.02303
• Log P: 5.02303
• Molar Refractivity: 65.4374 cm^3
• Polarizability: 26.97546 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 5-17
• Boiling Point: 109-111°C/1.5mm
• Density: 0.99

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%