ChemSpider 2D Image | Ethyl 4-(dimethylamino)-3,5-dinitrobenzoate | C11H13N3O6

Ethyl 4-(dimethylamino)-3,5-dinitrobenzoate

  • Molecular FormulaC11H13N3O6
  • Average mass283.237 Da
  • Monoisotopic mass283.080444 Da
  • ChemSpider ID21787738

More details:






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

4-(Diméthylamino)-3,5-dinitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(dimethylamino)-3,5-dinitro-, ethyl ester [ACD/Index Name]
Ethyl 4-(dimethylamino)-3,5-dinitrobenzoate [ACD/IUPAC Name]
Ethyl-4-(dimethylamino)-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
4-Dimethylamino-3,5-dinitro-benzoic acid ethyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 425.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 211.0±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.49
ACD/KOC (pH 5.5): 584.59
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.49
ACD/KOC (pH 7.4): 584.59
Polar Surface Area: 121 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 205.5±3.0 cm3

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