ChemSpider 2D Image | Diethyl 2-nitro-3-(nitromethyl)succinate | C9H14N2O8

Diethyl 2-nitro-3-(nitromethyl)succinate

  • Molecular FormulaC9H14N2O8
  • Average mass278.216 Da
  • Monoisotopic mass278.075012 Da
  • ChemSpider ID74836924

More details:

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

2-Nitro-3-(nitrométhyl)succinate de diéthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2-nitro-3-(nitromethyl)-, diethyl ester [ACD/Index Name]
Diethyl 2-nitro-3-(nitromethyl)succinate [ACD/IUPAC Name]
Diethyl-2-nitro-3-(nitromethyl)succinat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 422.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 188.8±30.7 °C
Index of Refraction: 1.475
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.58
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 210.4±3.0 cm3

Click to predict properties on the Chemicalize site


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