ChemSpider 2D Image | Diethyl 2,6-dioxo-1,3-adamantanedicarboxylate | C16H20O6

Diethyl 2,6-dioxo-1,3-adamantanedicarboxylate

  • Molecular FormulaC16H20O6
  • Average mass308.326 Da
  • Monoisotopic mass308.125977 Da
  • ChemSpider ID25997231

More details:

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

1,3-diethyl 2,6-dioxoadamantane-1,3-dicarboxylate
16004-78-7 [RN]
2,6-Dioxo-1,3-adamantanedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 2,6-dioxo-1,3-adamantanedicarboxylate [ACD/IUPAC Name]
Diethyl-2,6-dioxo-1,3-adamantandicarboxylat [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid, 2,6-dioxo-, diethyl ester [ACD/Index Name]
MFCD03105300 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 423.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 187.0±28.8 °C
Index of Refraction: 1.551
Molar Refractivity: 73.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.10
ACD/KOC (pH 5.5): 155.61
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.10
ACD/KOC (pH 7.4): 155.61
Polar Surface Area: 87 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 230.2±3.0 cm3

Click to predict properties on the Chemicalize site


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