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CAS No.: | 928793-00-4 |
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Name: | 2,5-Dibenzoyl-1,4-benzenedicarboxylic acid 1,4-dimethyl ester |
Molecular Structure: | |
Formula: | C24H18O6 |
Molecular Weight: | 402.40 |
Synonyms: | Dimethyl 2,5-dibenzoylbenzene-1,4-dicarboxylate;2,5-Dibenzoyl-1,4-benzenedicarboxylic acid 1,4-dimethyl ester; |
Density: | 1.251 g/cm3 |
Boiling Point: | 576.5 °C at 760 mmHg |
Flash Point: | 250.7 °C |
PSA: | 86.74000 |
LogP: | 3.72180 |
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The Dimethyl 2,5-dibenzoylterephthalate with CAS registry number of 928793-00-4 is also known as 2,5-Dibenzoyl-1,4-benzenedicarboxylic acid 1,4-dimethyl ester. The systematic name is Dimethyl 2,5-dibenzoylbenzene-1,4-dicarboxylate. In addition, the formula is C24H18O6 and the molecular weight is 402.40.
Physical properties about Dimethyl 2,5-dibenzoylterephthalate are: (1)ACD/LogP: 4.28; (2)ACD/LogD (pH 5.5): 4.28; (3)ACD/LogD (pH 7.4): 4.28; (4)#H bond acceptors: 6; (5)#Freely Rotating Bonds: 8; (6)Index of Refraction: 1.596; (7)Molar Refractivity: 109.38 cm3; (8)Molar Volume: 321.4 cm3; (9)Surface Tension: 50.3 dyne/cm; (10)Density: 1.251 g/cm3; (11)Flash Point: 250.7 °C; (12)Enthalpy of Vaporization: 86.33 kJ/mol; (13)Boiling Point: 576.5 °C at 760 mmHg; (14)Vapour Pressure: 2.72E-13 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(OC)c2cc(c(cc2C(=O)c1ccccc1)C(=O)OC)C(=O)c3ccccc3
2. InChI: InChI=1/C24H18O6/c1-29-23(27)19-13-18(22(26)16-11-7-4-8-12-16)20(24(28)30-2)14-17(19)21(25)15-9-5-3-6-10-15/h3-14H,1-2H3
3. InChIKey: USJSPTMSBXLEOH-UHFFFAOYAE
4. Std. InChI: InChI=1S/C24H18O6/c1-29-23(27)19-13-18(22(26)16-11-7-4-8-12-16)20(24(28)30-2)14-17(19)21(25)15-9-5-3-6-10-15/h3-14H,1-2H3
5. Std. InChIKey: USJSPTMSBXLEOH-UHFFFAOYSA-N