ChemSpider 2D Image | 1,4-Butanediyl bis(1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate) | C22H14O10

1,4-Butanediyl bis(1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate)

  • Molecular FormulaC22H14O10
  • Average mass438.341 Da
  • Monoisotopic mass438.058685 Da
  • ChemSpider ID78316807

More details:

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

1,4-Butandiyl-bis(1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylat) [German] [ACD/IUPAC Name]
1,4-Butanediyl bis(1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate) [ACD/IUPAC Name]
2899-87-8 [RN]
5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 1,4-butanediyl ester [ACD/Index Name]
Bis(1,3-dioxo-1,3-dihydro-2-benzofurane-5-carboxylate) de 1,4-butanediyle [French] [ACD/IUPAC Name]
Butane-1,4-diyl bis(1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylate)
CS-16505

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

Density: 1.5±0.1 g/cm3
Boiling Point: 685.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 297.9±30.2 °C
Index of Refraction: 1.635
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 61.05
ACD/KOC (pH 5.5): 660.41
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 61.05
ACD/KOC (pH 7.4): 660.41
Polar Surface Area: 139 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 285.4±3.0 cm3

Click to predict properties on the Chemicalize site


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