ChemSpider 2D Image | Diethyl [2-nitro-1-(nitrooxy)-2-phenylethyl]phosphonate | C12H17N2O8P

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

  • Molecular FormulaC12H17N2O8P
  • Average mass348.246 Da
  • Monoisotopic mass348.072266 Da
  • ChemSpider ID75538582

More details:

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

[2-Nitro-1-(nitrooxy)-2-phényléthyl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [2-nitro-1-(nitrooxy)-2-phenylethyl]phosphonate [ACD/IUPAC Name]
Diethyl-[2-nitro-1-(nitrooxy)-2-phenylethyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[2-nitro-1-(nitrooxy)-2-phenylethyl]-, diethyl ester [ACD/Index 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: 458.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.1±28.7 °C
Index of Refraction: 1.520
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 22.03
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.08
Polar Surface Area: 146 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 258.2±3.0 cm3

Click to predict properties on the Chemicalize site


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