Found 6 results

Search term: MF = 'C_{41}H_{48}O_{9}'
ChemSpider 2D Image | 4-{[4-(2,2-Dimethylpropanoyl)benzoyl]oxy}-2-({[4-(2,2-dimethylpropanoyl)benzoyl]oxy}methyl)butyl 4-(2,2-dimethylpropanoyl)benzoate | C41H48O9

4-{[4-(2,2-Dimethylpropanoyl)benzoyl]oxy}-2-({[4-(2,2-dimethylpropanoyl)benzoyl]oxy}methyl)butyl 4-(2,2-dimethylpropanoyl)benzoate

  • Molecular FormulaC41H48O9
  • Average mass684.814 Da
  • Monoisotopic mass684.329834 Da
  • ChemSpider ID8007128

More details:

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

4-(2,2-Diméthylpropanoyl)benzoate de 4-{[4-(2,2-diméthylpropanoyl)benzoyl]oxy}-2-({[4-(2,2-diméthylpropanoyl)benzoyl]oxy}méthyl)butyle [French] [ACD/IUPAC Name]
4-{[4-(2,2-Dimethylpropanoyl)benzoyl]oxy}-2-({[4-(2,2-dimethylpropanoyl)benzoyl]oxy}methyl)butyl 4-(2,2-dimethylpropanoyl)benzoate [ACD/IUPAC Name]
4-{[4-(2,2-Dimethylpropanoyl)benzoyl]oxy}-2-({[4-(2,2-dimethylpropanoyl)benzoyl]oxy}methyl)butyl-4-(2,2-dimethylpropanoyl)benzoat [German] [ACD/IUPAC Name]
benzoic acid, 4-(2,2-dimethyl-1-oxopropyl)-, 4-[[4-(2,2-dimethyl-1-oxopropyl)benzoyl]oxy]-2-[[[4-(2,2-dimethyl-1-oxopropyl)benzoyl]oxy]methyl]butyl ester
Benzoic acid,4-(2,2-dimethyl-1-oxopropyl)-,1,2,4-propanetriyl ester.

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

Density: 1.1±0.1 g/cm3
Boiling Point: 761.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 305.6±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 190.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 10.40
ACD/LogD (pH 5.5): 9.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2318350.25
ACD/LogD (pH 7.4): 9.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2318350.25
Polar Surface Area: 130 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 601.6±3.0 cm3

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