4-(HEPTYLOXY)-4'-BIPHENYLCARBOXYLIC ACID

This chemical is called [1,1'-Biphenyl]-4-carboxylicacid, 4'-(heptyloxy)-, and it can also be named as 4-(Heptyloxy)-4'-biphenylcarboxylic acid. With the molecular formula of C₂₀H₂₄O₃, its molecular weight is 312.4. The CAS registry number of this chemical is 59748-17-3, and its product category is Biphenyl & Diphenyl ether. Additionally, this chemical should be stored in the closed container in the cool and dry place.

Other characteristics of the [1,1'-Biphenyl]-4-carboxylicacid, 4'-(heptyloxy)- can be summarised as followings: (1)ACD/LogP: 6.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.51; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 4564.83; (6)ACD/BCF (pH 7.4): 116.68; (7)ACD/KOC (pH 5.5): 6422.07; (8)ACD/KOC (pH 7.4): 164.16; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 35.53 Ų; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 92.25 cm³; (15)Molar Volume: 290.2 cm³; (16)Polarizability: 36.57×10^-24 cm³; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.076 g/cm³; (19)Flash Point: 164.2 °C; (20)Enthalpy of Vaporization: 77.4 kJ/mol; (21)Boiling Point: 471.9 °C at 760 mmHg; (22)Vapour Pressure: 1.04E-09 mmHg at 25°C.

Uses of this chemical: The 4'-Heptyloxy-biphenyl-4-carboxylic acid 5-hexyl-[1,4]dioxan-2-yl ester and 4'-Heptyloxy-biphenyl-4-carboxylic acid 5-hexyl-[1,4]dioxan-2-yl ester could be obtained by the reactants of [1,1'-Biphenyl]-4-carboxylicacid, 4'-(heptyloxy)- and 5-Hexyl-[1,4]dioxan-2-ol. This reaction needs the reagents of DCC and DMAP, and the solvent of CH₂Cl₂. The yield is 42 %. This reaction should be taken for 3 days. The other condition is heating.



You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2ccc(c1ccc(OCCCCCCC)cc1)cc2
2.InChI: InChI=1/C20H24O3/c1-2-3-4-5-6-15-23-19-13-11-17(12-14-19)16-7-9-18(10-8-16)20(21)22/h7-14H,2-6,15H2,1H3,(H,21,22)
3.InChIKey: BDDYPNQQJHNKSC-UHFFFAOYAR