PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


ChemSpider 2D Image | Ethyl 3,5-dinitro-4-(1-piperazinyl)benzoate | C13H16N4O6

Ethyl 3,5-dinitro-4-(1-piperazinyl)benzoate

  • Molecular FormulaC13H16N4O6
  • Average mass324.289 Da
  • Monoisotopic mass324.106995 Da
  • ChemSpider ID21787756

More details:






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

3,5-Dinitro-4-(1-pipérazinyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-dinitro-4-(1-piperazinyl)-, ethyl ester [ACD/Index Name]
Ethyl 3,5-dinitro-4-(1-piperazinyl)benzoate [ACD/IUPAC Name]
Ethyl-3,5-dinitro-4-(1-piperazinyl)benzoat [German] [ACD/IUPAC Name]
3,5-Dinitro-4-piperazin-1-yl-benzoic acid ethyl ester
ethyl 3,5-dinitro-4-piperazin-1-ylbenzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 519.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.8±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 79.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.20
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 22.25
Polar Surface Area: 133 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 235.8±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement