ChemSpider 2D Image | 2-(2-{[2-(4-Isobutylphenyl)propanoyl]oxy}ethoxy)ethyl 4,5-diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylate | C36H36O11

2-(2-{[2-(4-Isobutylphenyl)propanoyl]oxy}ethoxy)ethyl 4,5-diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylate

  • Molecular FormulaC36H36O11
  • Average mass644.664 Da
  • Monoisotopic mass644.225769 Da
  • ChemSpider ID28505377

More details:

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

2-(2-{[2-(4-Isobutylphenyl)propanoyl]oxy}ethoxy)ethyl 4,5-diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylate [ACD/IUPAC Name]
2-(2-{[2-(4-Isobutylphenyl)propanoyl]oxy}ethoxy)ethyl-4,5-diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracencarboxylat [German] [ACD/IUPAC Name]
2-Anthracenecarboxylic acid, 4,5-bis(acetyloxy)-9,10-dihydro-9,10-dioxo-, 2-[2-[2-[4-(2-methylpropyl)phenyl]-1-oxopropoxy]ethoxy]ethyl ester [ACD/Index Name]
4,5-Diacétoxy-9,10-dioxo-9,10-dihydro-2-anthracènecarboxylate de 2-(2-{[2-(4-isobutylphényl)propanoyl]oxy}éthoxy)éthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 752.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 308.1±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 167.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26369.07
ACD/KOC (pH 5.5): 50839.93
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26369.07
ACD/KOC (pH 7.4): 50839.93
Polar Surface Area: 149 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 508.8±3.0 cm3

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