ChemSpider 2D Image | bis(4-tert-butoxy-4-oxobutyl) malonate | C19H32O8

bis(4-tert-butoxy-4-oxobutyl) malonate

  • Molecular FormulaC19H32O8
  • Average mass388.453 Da
  • Monoisotopic mass388.209717 Da
  • ChemSpider ID21112308

More details:






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

bis(4-tert-butoxy-4-oxobutyl) malonate
Bis{4-[(2-methyl-2-propanyl)oxy]-4-oxobutyl} malonate [ACD/IUPAC Name]
Bis{4-[(2-methyl-2-propanyl)oxy]-4-oxobutyl}-malonat [German] [ACD/IUPAC Name]
Malonate de bis{4-[(2-méthyl-2-propanyl)oxy]-4-oxobutyle} [French] [ACD/IUPAC Name]
Propanedioic acid, bis[4-(1,1-dimethylethoxy)-4-oxobutyl] ester [ACD/Index Name]
MFCD07366210 [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

Density: 1.1±0.1 g/cm3
Boiling Point: 449.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 191.3±26.0 °C
Index of Refraction: 1.458
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 98.25
ACD/KOC (pH 5.5): 928.39
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 98.24
ACD/KOC (pH 7.4): 928.32
Polar Surface Area: 105 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 356.2±3.0 cm3

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