ChemSpider 2D Image | 2-[4-(3,5-Dinitrobenzoyl)-1-piperazinyl]ethyl valerate | C18H24N4O7

2-[4-(3,5-Dinitrobenzoyl)-1-piperazinyl]ethyl valerate

  • Molecular FormulaC18H24N4O7
  • Average mass408.406 Da
  • Monoisotopic mass408.164490 Da
  • ChemSpider ID59100673

More details:

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

2-[4-(3,5-Dinitrobenzoyl)-1-piperazinyl]ethyl valerate [ACD/IUPAC Name]
2-[4-(3,5-Dinitrobenzoyl)-1-piperazinyl]ethylvalerat [German] [ACD/IUPAC Name]
Pentanoic acid, 2-[4-(3,5-dinitrobenzoyl)-1-piperazinyl]ethyl ester [ACD/Index Name]
Valérate de 2-[4-(3,5-dinitrobenzoyl)-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: 569.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.3±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 5.69
ACD/KOC (pH 5.5): 95.03
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.00
ACD/KOC (pH 7.4): 217.27
Polar Surface Area: 141 Å2
Polarizability: 40.7±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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