ChemSpider 2D Image | 4,4'-[1,3-Phenylenebis(methyleneoxy-3,1-phenylene)]bis(2,4-dioxobutanoic acid) | C28H22O10

4,4'-[1,3-Phenylenebis(methyleneoxy-3,1-phenylene)]bis(2,4-dioxobutanoic acid)

  • Molecular FormulaC28H22O10
  • Average mass518.468 Da
  • Monoisotopic mass518.121277 Da
  • ChemSpider ID9652712

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4,4'-[1,3-Phenylenbis(methylenoxy-3,1-phenylen)]bis(2,4-dioxobutansäure) [German] [ACD/IUPAC Name]
4,4'-[1,3-Phenylenebis(methyleneoxy-3,1-phenylene)]bis(2,4-dioxobutanoic acid) [ACD/IUPAC Name]
Acide 4,4'-[1,3-phénylènebis(méthylèneoxy-3,1-phénylène)]bis(2,4-dioxobutanoïque) [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 3,3'-[1,3-phenylenebis(methyleneoxy)]bis[α,γ-dioxo- [ACD/Index Name]
CHEMBL86448

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 748.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 250.2±26.4 °C
Index of Refraction: 1.619
Molar Refractivity: 130.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -2.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 371.4±3.0 cm3

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