ChemSpider 2D Image | 2-Oxo-1,3-propanediyl bis(3-nitrobenzoate) | C17H12N2O9

2-Oxo-1,3-propanediyl bis(3-nitrobenzoate)

  • Molecular FormulaC17H12N2O9
  • Average mass388.285 Da
  • Monoisotopic mass388.054291 Da
  • ChemSpider ID21997916

More details:

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

2-Oxo-1,3-propandiyl-bis(3-nitrobenzoat) [German] [ACD/IUPAC Name]
2-Oxo-1,3-propanediyl bis(3-nitrobenzoate) [ACD/IUPAC Name]
2-Propanone, 1,3-bis[(3-nitrobenzoyl)oxy]- [ACD/Index Name]
Bis(3-nitrobenzoate) de 2-oxo-1,3-propanediyle [French] [ACD/IUPAC Name]
3-(3-NITROBENZOYLOXY)-2-OXOPROPYL 3-NITROBENZOATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 603.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 260.8±32.1 °C
Index of Refraction: 1.614
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.54
ACD/KOC (pH 5.5): 1307.56
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.54
ACD/KOC (pH 7.4): 1307.56
Polar Surface Area: 161 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 263.4±3.0 cm3

Click to predict properties on the Chemicalize site


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