ChemSpider 2D Image | 3-Oxo-2-butanyl 4-ethoxy-5-methoxy-2-nitrobenzoate | C14H17NO7

3-Oxo-2-butanyl 4-ethoxy-5-methoxy-2-nitrobenzoate

  • Molecular FormulaC14H17NO7
  • Average mass311.287 Da
  • Monoisotopic mass311.100494 Da
  • ChemSpider ID22355607

More details:

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

3-Oxo-2-butanyl 4-ethoxy-5-methoxy-2-nitrobenzoate [ACD/IUPAC Name]
3-Oxo-2-butanyl-4-ethoxy-5-methoxy-2-nitrobenzoat [German] [ACD/IUPAC Name]
4-Éthoxy-5-méthoxy-2-nitrobenzoate de 3-oxo-2-butanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-ethoxy-5-methoxy-2-nitro-, 1-methyl-2-oxopropyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 471.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 199.7±30.7 °C
Index of Refraction: 1.522
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.85
ACD/KOC (pH 5.5): 284.80
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.85
ACD/KOC (pH 7.4): 284.80
Polar Surface Area: 108 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 250.7±3.0 cm3

Click to predict properties on the Chemicalize site


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