The 4-Butoxybiphenyl, with the CAS registry number 6842-78-0, is also known as p-n-Butoxybiphenyl. This chemical's molecular formula is C16H18O and molecular weight is 226.31. What's more, its systematic name is 4-Butoxybiphenyl.
Physical properties of 4-Butoxybiphenyl are: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.538; (8)Molar Refractivity: 71.42 cm3; (9)Molar Volume: 228.2 cm3; (10)Polarizability: 28.31×10-24 cm3; (11)Surface Tension: 35.3 dyne/cm; (12)Density: 0.991 g/cm3; (13)Flash Point: 137.2 °C; (14)Enthalpy of Vaporization: 56.62 kJ/mol; (15)Boiling Point: 345.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000123 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)c2ccccc2)CCCC
(2)InChI: InChI=1/C16H18O/c1-2-3-13-17-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,2-3,13H2,1H3
(3)InChIKey: NCJZHZJABHDELF-UHFFFAOYAW
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