4-Ethyl-4'-ethynylbiphenyl (477587-89-6)

The cas register number of 4-Ethyl-4'-ethynylbiphenyl is 477587-89-6. It also can be called as 4-Ethyl-4'-ethynyl-1,1'-biphenyl and the Systematic name about this chemical is 1-ethyl-4-(4-ethynylphenyl)benzene. It belongs to the Ethyl.

Physical properties about 4-Ethyl-4'-ethynylbiphenyl are: (1)ACD/LogP: 5.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.67; (4)ACD/LogD (pH 7.4): 5.67; (5)ACD/BCF (pH 5.5): 12005.111; (6)ACD/BCF (pH 7.4): 12005.111; (7)ACD/KOC (pH 5.5): 28946.688; (8)ACD/KOC (pH 7.4): 28946.688; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.593; (11)Molar Refractivity: 67.774 cm³; (12)Molar Volume: 200.082 cm³; (13)Polarizability: 26.868x10^-24cm³; (14)Surface Tension: 43.4 dyne/cm; (15)Enthalpy of Vaporization: 53.632 kJ/mol; (16)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1ccc(cc1)c2ccc(cc2)C#C
(2)InChI: InChI=1/C16H14/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h1,5-12H,4H2,2H3
(3)InChIKey: LMCBMOAZJXJAIV-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C16H14/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h1,5-12H,4H2,2H3
(5)Std. InChIKey: LMCBMOAZJXJAIV-UHFFFAOYSA-N