ChemSpider 2D Image | 2-Oxo-2-propoxyethyl 3,5-dinitrobenzoate | C12H12N2O8

2-Oxo-2-propoxyethyl 3,5-dinitrobenzoate

  • Molecular FormulaC12H12N2O8
  • Average mass312.232 Da
  • Monoisotopic mass312.059357 Da
  • ChemSpider ID67310810

More details:

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

2-Oxo-2-propoxyethyl 3,5-dinitrobenzoate [ACD/IUPAC Name]
2-Oxo-2-propoxyethyl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
3,5-Dinitrobenzoate de 2-oxo-2-propoxyéthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(3,5-dinitrobenzoyl)oxy]-, propyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 471.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 208.9±27.9 °C
Index of Refraction: 1.561
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.39
ACD/KOC (pH 5.5): 352.42
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.39
ACD/KOC (pH 7.4): 352.42
Polar Surface Area: 144 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 220.5±3.0 cm3

Click to predict properties on the Chemicalize site


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