ChemSpider 2D Image | 2-(Octanoylamino)ethyl 3,5-dinitrobenzoate | C17H23N3O7

2-(Octanoylamino)ethyl 3,5-dinitrobenzoate

  • Molecular FormulaC17H23N3O7
  • Average mass381.380 Da
  • Monoisotopic mass381.153595 Da
  • ChemSpider ID22466534

More details:






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

2-(Octanoylamino)ethyl 3,5-dinitrobenzoate [ACD/IUPAC Name]
2-(Octanoylamino)ethyl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
3,5-Dinitrobenzoate de 2-(octanoylamino)éthyle [French] [ACD/IUPAC Name]
Octanamide, N-[2-[(3,5-dinitrobenzoyl)oxy]ethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 584.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.2±27.3 °C
Index of Refraction: 1.544
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 626.02
ACD/KOC (pH 5.5): 3494.63
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 626.02
ACD/KOC (pH 7.4): 3494.63
Polar Surface Area: 147 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 305.5±3.0 cm3

Click to predict properties on the Chemicalize site






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