Benzoicacid, 4,4'-[1,5-pentanediylbis(oxy)]bis- supplier

Name
4,4'-[1,5-PENTANEDIYLBIS(OXY)] BISBENZOIC ACID
EINECS
CAS No. 22247-66-1
Article Data6
CAS DataBase
Density 1.261 g/cm³
Solubility
Melting Point
Formula C₁₉H₂₀O₆
Boiling Point 573.2 °C at 760 mmHg
Molecular Weight 344.364
Flash Point 206.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 93.06000
LogP 3.71110

Benzoicacid, 4,4'-[1,5-pentanediylbis(oxy)]bis- Specification

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^-24cm³; (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

Product Name

4,4'-[1,5-PENTANEDIYLBIS(OXY)] BISBENZOIC ACID

Benzoicacid, 4,4'-[1,5-pentanediylbis(oxy)]bis- Specification

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