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CAS No.: | 108177-64-6 |
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Name: | 4-N-BUTYLOXYBIPHENYL |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C16H18O2 |
Molecular Weight: | 242.318 |
Synonyms: | 4-(4-Butoxyphenyl)phenol;4-Butoxy-4'-hydroxybiphenyl;4-Hydroxy-4'-n-butoxybiphenyl;4'-Butyloxy-4-hydroxybiphenyl; |
Density: | 1.068±0.06 g/cm3(Predicted) |
Melting Point: | 140-142 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 383.6 °C at 760 mmHg |
Flash Point: | 197.3 °C |
PSA: | 29.46000 |
LogP: | 4.23810 |
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This chemical is called [1,1'-Biphenyl]-4-ol,4'-butoxy-, and its systematic name is 4'-Butoxybiphenyl-4-ol. With the molecular formula of C16H18O2, its molecular weight is 242.31. The CAS registry number of the chemical is 108177-64-6. Additionally, its product category is Biphenyl & Diphenyl ether.
Other characteristics of [1,1'-Biphenyl]-4-ol,4'-butoxy- can be summarised as followings: (1)ACD/LogP: 4.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.61; (4)ACD/LogD (pH 7.4): 4.61; (5)ACD/BCF (pH 5.5): 1875.62; (6)ACD/BCF (pH 7.4): 1871.11; (7)ACD/KOC (pH 5.5): 7664.97; (8)ACD/KOC (pH 7.4): 7646.52; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 73.3 cm3; (15)Molar Volume: 226.6 cm3; (16)Polarizability: 29.05×10-24cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.068 g/cm3; (19)Flash Point: 197.3 °C; (20)Enthalpy of Vaporization: 65.69 kJ/mol; (21)Boiling Point: 383.6 °C at 760 mmHg; (22)Vapour Pressure: 1.98E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Oc1ccc(cc1)c2ccc(OCCCC)cc2
2.InChI: InChI=1/C16H18O2/c1-2-3-12-18-16-10-6-14(7-11-16)13-4-8-15(17)9-5-13/h4-11,17H,2-3,12H2,1H3
3.InChIKey: MWWKMFTXNBHVJT-UHFFFAOYAA