ChemSpider 2D Image | Tetraethyl 5-oxo-3,5,5a,7-tetrahydrocyclopenta[c]-s-indacene-2,2,8,8(1H,9H)-tetracarboxylate | C27H32O9

Tetraethyl 5-oxo-3,5,5a,7-tetrahydrocyclopenta[c]-s-indacene-2,2,8,8(1H,9H)-tetracarboxylate

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID9288982

More details:






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

Cyclopent[c]-s-indacene-2,2,8,8(1H,9H)-tetracarboxylic acid, 3,5,5a,7-tetrahydro-5-oxo-, tetraethyl ester [ACD/Index Name]
Tetraethyl 5-oxo-3,5,5a,7-tetrahydrocyclopenta[c]-s-indacene-2,2,8,8(1H,9H)-tetracarboxylate [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 603.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 256.3±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 415.47
ACD/KOC (pH 5.5): 2605.89
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.47
ACD/KOC (pH 7.4): 2605.89
Polar Surface Area: 122 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 385.2±5.0 cm3

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