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84016-40-0

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Basic Information
CAS No.: 84016-40-0
Name: 4-(4-N-BUTYLPHENYL)PHENOL
Molecular Structure:
Molecular Structure of 84016-40-0 (4-(4-N-BUTYLPHENYL)PHENOL)
Formula: C16H18O
Molecular Weight: 226.318
Synonyms: 4-(4-Butylphenyl)phenol;4-(4-N-Butylphenyl)phenol;
Density: 1.033 g/cm3
Boiling Point: 358.5 °C at 760 mmHg
Flash Point: 169.8 °C
PSA: 20.23000
LogP: 4.40180
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Specification

The systematic name of 4-(4-Butylphenyl)phenol is 4'-Butylbiphenyl-4-ol. With the CAS registry number 84016-40-0, it is also named as [1,1'-Biphenyl]-4-ol,4'-butyl-. In addition, its molecular formula is C16H18O and its molecular weight is 226.31. 

The other characteristics of 4-(4-Butylphenyl)phenol can be summarized as: (1)ACD/LogP: 5.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 5795.88; (6)ACD/BCF (pH 7.4): 5777.84; (7)ACD/KOC (pH 5.5): 17188.11; (8)ACD/KOC (pH 7.4): 17134.6; (9)H bond acceptors: 1; (10)H bond donors: 1; (11)Freely Rotating Bonds: 5; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 71.54 cm3; (15)Molar Volume: 218.9 cm3; (16)Polarizability: 28.36×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.033 g/cm3; (19)Flash Point: 169.8 °C; (20)Enthalpy of Vaporization: 62.78 kJ/mol; (21)Boiling Point: 358.5 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Oc1ccc(cc1)c2ccc(CCCC)cc2
(2)InChI:InChI=1/C16H18O/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h5-12,17H,2-4H2,1H3
(3)InChIKey:OACHBIGUVRUHBJ-UHFFFAOYAG