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CAS No.: | 22247-66-1 |
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Name: | 4,4'-[1,5-PENTANEDIYLBIS(OXY)] BISBENZOIC ACID |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C19H20O6 |
Molecular Weight: | 344.364 |
Synonyms: | Benzoicacid, 4,4'-(pentamethylenedioxy)di- (6CI,8CI);4,4'-[Pentane-1,5-diylbis(oxy)]dibenzoic acid;4,4'-[1,5-Pentanediylbis(oxy)] bisbenzoic acid; |
Density: | 1.261 g/cm3 |
Boiling Point: | 573.2 °C at 760 mmHg |
Flash Point: | 206.1 °C |
PSA: | 93.06000 |
LogP: | 3.71110 |
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The Benzoicacid, 4,4'-[1,5-pentanediylbis(oxy)]bis-, with the CAS registry number 22247-66-1, is also known as 4,4'-[1,5-Pentanediylbis(oxy)] bisbenzoic acid. This chemical's molecular formula is C19H20O6 and molecular weight is 344.36. What's more, its systematic name is 4,4'-[Pentane-1,5-diylbis(oxy)]dibenzoic acid.
Physical properties of Benzoicacid, 4,4'-[1,5-pentanediylbis(oxy)]bis- are: (1)ACD/LogP: 4.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 18.42; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 69.89; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 91.57 cm3; (15)Molar Volume: 272.9 cm3; (16)Polarizability: 36.3×10-24 cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 206.1 °C; (20)Enthalpy of Vaporization: 90.37 kJ/mol; (21)Boiling Point: 573.2 °C at 760 mmHg; (22)Vapour Pressure: 5.6E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ccc(OCCCCCOc1ccc(cc1)C(=O)O)cc2
(2)InChI: InChI=1/C19H20O6/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H,20,21)(H,22,23)
(3)InChIKey: ZYCRTOPQKAMKGM-UHFFFAOYSA-N