ChemSpider 2D Image | 2-[(2E)-2-(Nitromethylene)-1-imidazolidinyl]ethyl benzoate | C13H15N3O4

2-[(2E)-2-(Nitromethylene)-1-imidazolidinyl]ethyl benzoate

  • Molecular FormulaC13H15N3O4
  • Average mass277.276 Da
  • Monoisotopic mass277.106262 Da
  • ChemSpider ID31119759

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Imidazolidineethanol, 2-(nitromethylene)-, benzoate (ester), (2E)- [ACD/Index Name]
2-[(2E)-2-(Nitromethylen)-1-imidazolidinyl]ethyl-benzoat [German] [ACD/IUPAC Name]
2-[(2E)-2-(Nitromethylene)-1-imidazolidinyl]ethyl benzoate [ACD/IUPAC Name]
Benzoate de 2-[(2E)-2-(nitrométhylène)-1-imidazolidinyl]éthyle [French] [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: 444.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 222.6±28.7 °C
Index of Refraction: 1.622
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 53.65
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 54.09
Polar Surface Area: 87 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 209.2±3.0 cm3

Click to predict properties on the Chemicalize site


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