ChemSpider 2D Image | Ethyl 4-(3-nitrobenzoyl)benzoate | C16H13NO5

Ethyl 4-(3-nitrobenzoyl)benzoate

  • Molecular FormulaC16H13NO5
  • Average mass299.278 Da
  • Monoisotopic mass299.079376 Da
  • ChemSpider ID21397491

More details:

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

4-(3-Nitrobenzoyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
890098-31-4 [RN]
Benzoic acid, 4-(3-nitrobenzoyl)-, ethyl ester [ACD/Index Name]
Ethyl 4-(3-nitrobenzoyl)benzoate [ACD/IUPAC Name]
Ethyl-4-(3-nitrobenzoyl)benzoat [German] [ACD/IUPAC Name]
4-ethoxycarbonyl-3'-nitrobenzophenone
4-ethoxycarbonyl-3-nitrobenzophenone
MFCD02260406 [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: 464.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 199.6±26.5 °C
Index of Refraction: 1.591
Molar Refractivity: 79.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 270.79
ACD/KOC (pH 5.5): 1918.15
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 270.79
ACD/KOC (pH 7.4): 1918.15
Polar Surface Area: 89 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 233.8±3.0 cm3

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