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4-Butoxy-1,1'-biphenyl

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Name

4-Butoxy-1,1'-biphenyl

EINECS N/A
CAS No. 6842-78-0 Density 0.991 g/cm3
PSA 9.23000 LogP 4.53250
Solubility N/A Melting Point 70-72 °C
Formula C16H18O Boiling Point 345.5 °C at 760 mmHg
Molecular Weight 226.318 Flash Point 137.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6842-78-0 (4-Butoxybiphenyl) Hazard Symbols N/A
Synonyms

1, 1-Biphenyl, 4-butoxy-;1-Butoxy-4-phenyl-benzene;p-n-Butoxybiphenyl;Ether, 4-biphenylyl butyl;

Article Data 15

4-Butoxy-1,1'-biphenyl Specification

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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