ChemSpider 2D Image | 2-(4-Pentanoyl-1-piperazinyl)ethyl 3,5-dinitrobenzoate | C18H24N4O7

2-(4-Pentanoyl-1-piperazinyl)ethyl 3,5-dinitrobenzoate

  • Molecular FormulaC18H24N4O7
  • Average mass408.406 Da
  • Monoisotopic mass408.164490 Da
  • ChemSpider ID59114193

More details:

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

1-Pentanone, 1-[4-[2-[(3,5-dinitrobenzoyl)oxy]ethyl]-1-piperazinyl]- [ACD/Index Name]
2-(4-Pentanoyl-1-piperazinyl)ethyl 3,5-dinitrobenzoate [ACD/IUPAC Name]
2-(4-Pentanoyl-1-piperazinyl)ethyl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
3,5-Dinitrobenzoate de 2-(4-pentanoyl-1-pipérazinyl)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: 594.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.3±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 23.80
ACD/KOC (pH 5.5): 302.04
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.60
ACD/KOC (pH 7.4): 439.15
Polar Surface Area: 141 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 312.9±3.0 cm3

Click to predict properties on the Chemicalize site


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