The Ethanol,2,2'-[1,2-ethanediylbis(oxy)]bis-,1,1'-dibenzoate is an organic compound with the formula C20H22O6. The IUPAC name of this chemical is 2-[2-(2-benzoyloxyethoxy)ethoxy]ethyl benzoate. With the CAS registry number 120-56-9, it is also named as Triethylene glycol, dibenzoate (8CI).
Physical properties about Ethanol,2,2'-[1,2-ethanediylbis(oxy)]bis-,1,1'-dibenzoate are: (1)ACD/LogP: 3.28 ; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 184.23; (5)ACD/BCF (pH 7.4): 184.23; (6)ACD/KOC (pH 5.5): 1455.95; (7)ACD/KOC (pH 7.4): 1455.95; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 13; (10)Polar Surface Area: 71.06 Å2; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 96.02 cm3; (13)Molar Volume: 304.8 cm3; (14)Polarizability: 38.06×10-24cm3; (15)Surface Tension: 45.2 dyne/cm; (16)Density: 1.175 g/cm3; (17)Flash Point: 191.8 °C; (18)Enthalpy of Vaporization: 70.07 kJ/mol; (19)Boiling Point: 443.1 °C at 760 mmHg; (20)Vapour Pressure: 4.75E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCOCCOCCOC(=O)c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C20H22O6/c21-19(17-7-3-1-4-8-17)25-15-13-23-11-12-24-14-16-26-20(22)18-9-5-2-6-10-18/h1-10H,11-16H2
(3)InChIKey: AHSGHEXYEABOKT-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C20H22O6/c21-19(17-7-3-1-4-8-17)25-15-13-23-11-12-24-14-16-26-20(22)18-9-5-2-6-10-18/h1-10H,11-16H2
(5)Std. InChIKey: AHSGHEXYEABOKT-UHFFFAOYSA-N
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