ChemSpider 2D Image | Methyl 2-{[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]oxy}-4-methylpentanoate | C15H23N3O6

Methyl 2-{[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]oxy}-4-methylpentanoate

  • Molecular FormulaC15H23N3O6
  • Average mass341.360 Da
  • Monoisotopic mass341.158691 Da
  • ChemSpider ID30231658

More details:

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

1H-Pyrazole-1-propanoic acid, 3,5-dimethyl-4-nitro-, 1-(methoxycarbonyl)-3-methylbutyl ester [ACD/Index Name]
2-{[3-(3,5-Diméthyl-4-nitro-1H-pyrazol-1-yl)propanoyl]oxy}-4-méthylpentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-{[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]oxy}-4-methylpentanoate [ACD/IUPAC Name]
Methyl-2-{[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]oxy}-4-methylpentanoat [German] [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: 462.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.3±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 85.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.57
ACD/KOC (pH 5.5): 910.15
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.57
ACD/KOC (pH 7.4): 910.15
Polar Surface Area: 116 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 269.6±7.0 cm3

Click to predict properties on the Chemicalize site


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