ChemSpider 2D Image | Dimethyl [2-nitro-1-(nitrooxy)-2-phenylethyl]phosphonate | C10H13N2O8P

Dimethyl [2-nitro-1-(nitrooxy)-2-phenylethyl]phosphonate

  • Molecular FormulaC10H13N2O8P
  • Average mass320.193 Da
  • Monoisotopic mass320.040955 Da
  • ChemSpider ID75538581

More details:

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

[2-Nitro-1-(nitrooxy)-2-phényléthyl]phosphonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl [2-nitro-1-(nitrooxy)-2-phenylethyl]phosphonate [ACD/IUPAC Name]
Dimethyl-[2-nitro-1-(nitrooxy)-2-phenylethyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[2-nitro-1-(nitrooxy)-2-phenylethyl]-, dimethyl 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: 437.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 218.1±28.7 °C
Index of Refraction: 1.527
Molar Refractivity: 69.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.61
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.36
Polar Surface Area: 146 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 225.2±3.0 cm3

Click to predict properties on the Chemicalize site


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