Benzene,1-ethynyl-4-propoxy- (39604-97-2)

The 1-Eth-1-ynyl-4-propoxybenzene with its cas register number is 39604-97-2. It also can be called as 4-n-Propoxyphenylacetylene and the Systematic name about this chemical is 1-ethynyl-4-propoxybenzene. When you are using it, please avoid contact with skin and eyes.

Physical properties about 1-Eth-1-ynyl-4-propoxybenzene are: (1)ACD/LogP: 3.38; (2)ACD/LogD (pH 5.5): 3.38; (3)ACD/LogD (pH 7.4): 3.38; (4)ACD/BCF (pH 5.5): 217.44; (5)ACD/BCF (pH 7.4): 217.44; (6)ACD/KOC (pH 5.5): 1639.34; (7)ACD/KOC (pH 7.4): 1639.34; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 9.23Ų; (11)Index of Refraction: 1.518; (12)Molar Refractivity: 49.44 cm³; (13)Molar Volume: 163 cm³; (14)Polarizability: 19.59x10^-24cm³; (15)Surface Tension: 36.9 dyne/cm; (16)Enthalpy of Vaporization: 45.18 kJ/mol; (17)Vapour Pressure: 0.0819 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(C#C)cc1)CCC
(2)InChI: InChI=1/C11H12O/c1-3-9-12-11-7-5-10(4-2)6-8-11/h2,5-8H,3,9H2,1H3
(3)InChIKey: NMKZRVMAECEGMV-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H12O/c1-3-9-12-11-7-5-10(4-2)6-8-11/h2,5-8H,3,9H2,1H3
(5)Std. InChIKey: NMKZRVMAECEGMV-UHFFFAOYSA-N