ChemSpider 2D Image | bis(4-Bentloxycarbonylbutyl) malonate | C25H28O8

bis(4-Bentloxycarbonylbutyl) malonate

  • Molecular FormulaC25H28O8
  • Average mass456.485 Da
  • Monoisotopic mass456.178406 Da
  • ChemSpider ID21112307

More details:

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

bis(4-Bentloxycarbonylbutyl) malonate
Bis[4-(benzyloxy)-4-oxobutyl] malonate [ACD/IUPAC Name]
bis[4-(benzyloxy)-4-oxobutyl] propanedioate
Bis[4-(benzyloxy)-4-oxobutyl]-malonat [German] [ACD/IUPAC Name]
Malonate de bis[4-(benzyloxy)-4-oxobutyle] [French] [ACD/IUPAC Name]
Propanedioic acid, bis[4-oxo-4-(phenylmethoxy)butyl] ester [ACD/Index Name]
MFCD04972519 [MDL number]

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 570.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 243.6±30.2 °C
Index of Refraction: 1.538
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 648.51
ACD/KOC (pH 5.5): 3584.04
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 648.46
ACD/KOC (pH 7.4): 3583.77
Polar Surface Area: 105 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 378.5±3.0 cm3

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