ChemSpider 2D Image | 2-Oxo-1,3-propanediyl bis(2,3-dihydro-1,4-benzodioxine-2-carboxylate) | C21H18O9

2-Oxo-1,3-propanediyl bis(2,3-dihydro-1,4-benzodioxine-2-carboxylate)

  • Molecular FormulaC21H18O9
  • Average mass414.362 Da
  • Monoisotopic mass414.095093 Da
  • ChemSpider ID21997193

More details:

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

1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, 2-oxo-1,3-propanediyl ester [ACD/Index Name]
2-Oxo-1,3-propandiyl-bis(2,3-dihydro-1,4-benzodioxin-2-carboxylat) [German] [ACD/IUPAC Name]
2-Oxo-1,3-propanediyl bis(2,3-dihydro-1,4-benzodioxine-2-carboxylate) [ACD/IUPAC Name]
Bis(2,3-dihydro-1,4-benzodioxine-2-carboxylate) de 2-oxo-1,3-propanediyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 566.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 248.1±30.2 °C
Index of Refraction: 1.578
Molar Refractivity: 98.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.73
ACD/KOC (pH 5.5): 494.29
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.73
ACD/KOC (pH 7.4): 494.29
Polar Surface Area: 107 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 297.0±3.0 cm3

Click to predict properties on the Chemicalize site


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