The 4-Ethoxyphenylacetylene, with the CAS registry number 79887-14-2, has the systematic name of 1-ethoxy-4-ethynylbenzene. And the molecular formula of this chemical is C10H10O. In addition, it is usually used as intermediates of liquid crystals.
The physical properties of 4-Ethoxyphenylacetylene are as following: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 85.8; (6)ACD/BCF (pH 7.4): 85.8; (7)ACD/KOC (pH 5.5): 842.59; (8)ACD/KOC (pH 7.4): 842.59; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 44.8 cm3; (15)Molar Volume: 146.5 cm3; (16)Polarizability: 17.76×10-24cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 0.99 g/cm3; (19)Flash Point: 76.2 °C; (20)Enthalpy of Vaporization: 43.27 kJ/mol; (21)Boiling Point: 214.8 °C at 760 mmHg; (22)Vapour Pressure: 0.223 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(C#C)cc1)CC
(2)InChI: InChI=1/C10H10O/c1-3-9-5-7-10(8-6-9)11-4-2/h1,5-8H,4H2,2H3
(3)InChIKey: FRGNOZUOTHMJSC-UHFFFAOYAG
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