1,1'-Biphenyl,4,4'-bis(4-ethylcyclohexyl)- (91538-79-3)

The 4,4'-Bis(4-ethylcyclohexyl)-1,1'-biphenyl, with the cas registry number 91538-79-3, has the systematic name of 4,4'-bis(4-ethylcyclohexyl)biphenyl. And the molecular formula of the chemical is C₂₈H₃₈.

The characteristics of this chemical are as followings: (1)ACD/LogP: 11.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.06; (4)ACD/LogD (pH 7.4): 11.06; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 121.22 cm³; (15)Molar Volume: 392.2 cm³; (16)Polarizability: 48.05×10^-24cm³; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 0.954 g/cm³; (19)Flash Point: 290.3 °C; (20)Enthalpy of Vaporization: 73.55 kJ/mol; (21)Boiling Point: 496.7 °C at 760 mmHg; (22)Vapour Pressure: 1.62E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCC1CCC(CC1)c2ccc(cc2)c3ccc(cc3)C4CCC(CC)CC4
(2)InChI: InChI=1/C28H38/c1-3-21-5-9-23(10-6-21)25-13-17-27(18-14-25)28-19-15-26(16-20-28)24-11-7-22(4-2)8-12-24/h13-24H,3-12H2,1-2H3
(3)InChIKey: LMNCQPQSSCIAFO-UHFFFAOYAZ