ChemSpider 2D Image | 4-[2-(Nitrooxy)ethoxy]-4-oxobutanoic acid | C6H9NO7

4-[2-(Nitrooxy)ethoxy]-4-oxobutanoic acid

  • Molecular FormulaC6H9NO7
  • Average mass207.138 Da
  • Monoisotopic mass207.037903 Da
  • ChemSpider ID110527298

More details:

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

4-[2-(Nitrooxy)ethoxy]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[2-(Nitrooxy)ethoxy]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[2-(nitrooxy)éthoxy]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[2-(nitrooxy)ethyl] ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 383.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 185.9±23.7 °C
Index of Refraction: 1.477
Molar Refractivity: 41.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.51
ACD/LogD (pH 7.4): -2.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 144.8±3.0 cm3

Click to predict properties on the Chemicalize site


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