The Hexanedioic acid, ester with 2,2-oxybis(ethanol), with the CAS registry number 58984-19-3, has the EINECS registry number 261-541-8. This chemical's molecular formula is C10H18O6 and molecular weight is 234.2463. Its systematic name is called 6-[2-(2-hydroxyethoxy)ethoxy]-6-oxohexanoic acid.
Physical properties of Hexanedioic acid, ester with 2,2-oxybis(ethanol): (1)ACD/LogP: -0.47; (2)ACD/LogD (pH 5.5): -1.35; (3)ACD/LogD (pH 7.4): -3.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.74; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 12; (11)Index of Refraction: 1.474; (12)Molar Refractivity: 54.99 cm3; (13)Molar Volume: 195.5 cm3; (14)Surface Tension: 47.3 dyne/cm; (15)Density: 1.197 g/cm3; (16)Flash Point: 158.5 °C; (17)Enthalpy of Vaporization: 76.9 kJ/mol; (18)Boiling Point: 412.9 °C at 760 mmHg; (19)Vapour Pressure: 1.53E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCOCCO)CCCCC(=O)O
(2)InChI: InChI=1/C10H18O6/c11-5-6-15-7-8-16-10(14)4-2-1-3-9(12)13/h11H,1-8H2,(H,12,13)
(3)InChIKey: BATDEVCTYREDAX-UHFFFAOYAH
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