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CAS No.: | 4445-51-6 |
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Name: | 2,5-DIPHENYLDICARBONIC ACID |
Molecular Structure: | |
Formula: | C14H10O4 |
Molecular Weight: | 242.231 |
Synonyms: | 2,5-Biphenyldicarboxylicacid (6CI,8CI);2-Phenyl-1,4-benzenedicarboxylic acid;2-Phenylterephthalicacid;Phenylterephthalic acid;Biphenyl-2,5-dicarboxylic acid; |
Density: | 1.347 g/cm3 |
Melting Point: | 277-278 °C(Solv: water (7732-18-5); methanol (67-56-1)) |
Boiling Point: | 454.3 °C at 760 mmHg |
Flash Point: | 242.7 °C |
PSA: | 74.60000 |
LogP: | 2.75000 |
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This chemical is called [1,1'-Biphenyl]-2,5-dicarboxylicacid, and it can also be named as 2,5-Diphenyldicarbonic acid. The molecular formula of this chemical is C14H10O4. The CAS registry number of this chemical is 4445-51-6, and its systematic name is Biphenyl-2,5-dicarboxylic acid.
Other characteristics of the [1,1'-Biphenyl]-2,5-dicarboxylicacid can be summarised as followings: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.639; (12)Molar Refractivity: 64.7 cm3; (13)Molar Volume: 179.7 cm3; (14)Polarizability: 25.65×10-24 cm3; (15)Surface Tension: 62.2 dyne/cm; (16)Density: 1.347 g/cm3; (17)Flash Point: 242.7 °C; (18)Enthalpy of Vaporization: 75.23 kJ/mol; (19)Boiling Point: 454.3 °C at 760 mmHg; (20)Vapour Pressure: 4.8E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2cc(c1ccccc1)c(cc2)C(=O)O
2.InChI: InChI=1/C14H10O4/c15-13(16)10-6-7-11(14(17)18)12(8-10)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)
3.InChIKey: VSZJLXSVGVDPMJ-UHFFFAOYAH