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7447-67-8

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Basic Information
CAS No.: 7447-67-8
Name: 1,2-Benzenedicarboxylic acid, 1,1'-(oxydi-2,1-ethanediyl) ester
Article Data: 1
Molecular Structure:
Molecular Structure of 7447-67-8 (1,2-Benzenedicarboxylic acid, 1,1'-(oxydi-2,1-ethanediyl) ester)
Formula: C20H18O9
Molecular Weight: 402.358
Synonyms: 1,2-Benzenedicarboxylic acid, oxydi-2,1-ethanediyl ester;2-[2-[2-(2-Carboxybenzoyl)oxyethoxy]ethoxycarbonyl]benzoic acid;2,2'-[Oxybis(ethane-2,1-diyloxycarbonyl)]dibenzoic acid;Diethylene glycol, bis(hydrogen phthalate);Oxydi-2,1-ethanediyl 1,2-benzenedicarboxylate;
Density: 1.384 g/cm3
Boiling Point: 588.2 °C at 760 mmHg
Flash Point: 206.9 °C
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Specification

The 1,2-Benzenedicarboxylic acid, 1,1'-(oxydi-2,1-ethanediyl) ester, with the CAS registry number 7447-67-8, is also known as Oxydi-2,1-ethanediyl 1,2-benzenedicarboxylate. This chemical's molecular formula is C20H18O9 and molecular weight is 402.35. What's more, its systematic name is 2,2'-[oxybis(ethane-2,1-diyloxycarbonyl)]dibenzoic acid.

Physical properties of 1,2-Benzenedicarboxylic acid, 1,1'-(oxydi-2,1-ethanediyl) ester are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.38; (4)ACD/LogD (pH 7.4): -2.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 114.43 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 98.87 cm3; (15)Molar Volume: 290.5 cm3; (16)Polarizability: 39.19×10-24cm3; (17)Surface Tension: 62 dyne/cm; (18)Density: 1.384 g/cm3; (19)Flash Point: 206.9 °C; (20)Enthalpy of Vaporization: 92.36 kJ/mol; (21)Boiling Point: 588.2 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCOCCOC(=O)c1ccccc1C(=O)O)c2ccccc2C(=O)O
(2)Std. InChI: InChI=1S/C20H18O9/c21-17(22)13-5-1-3-7-15(13)19(25)28-11-9-27-10-12-29-20(26)16-8-4-2-6-14(16)18(23)24/h1-8H,9-12H2,(H,21,22)(H,23,24)
(3)Std. InChIKey: IGAGCCZDUSWYGQ-UHFFFAOYSA-N