The Oxydipropyl dibenzoate, with the CAS registry number 27138-31-4, is also known as Dipropylene glycol dibenzoate; 2-[1-(Benzoyloxy)propan-2-yloxy]propyl benzoate. It belongs to the product categories of Plasticizers;Polymer Additives;Polymer Science.This chemical's molecular formula is C20H22O5 and molecular weight is 342.39.Its EINECS number is 248-258-5.What's more,Its systematic name is Oxydipropyl dibenzoate.It is stable,combustible,incompatible with strong oxidizing agents.
Physical properties about Oxydipropyl dibenzoate are:
(1)ACD/LogP: 5.687; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12358.65; (6)ACD/BCF (pH 7.4): 12358.65; (7)ACD/KOC (pH 5.5): 29554.33; (8)ACD/KOC (pH 7.4): 29554.33; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 94.197 cm3; (14)Molar Volume: 299.26 cm3; (15)Surface Tension: 42.851001739502 dyne/cm; (16)Density: 1.144 g/cm3; (17)Flash Point: 202.303 °C; (18)Enthalpy of Vaporization: 72.557 kJ/mol; (19)Boiling Point: 464.198 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OC(CC)OC(CC)OC(=O)c1ccccc1)c2ccccc2;
(2)Std. InChI:InChI=1S/C20H22O5/c1-3-17(24-19(21)15-11-7-5-8-12-15)23-18(4-2)25-20(22)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3;
(3)Std. InChIKey:IZYMYJNSFZHDAX-UHFFFAOYSA-N.
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