Found 1 result

Search term: InChI=1S/C4H5NO4/c6-3-1-2-4-9-5(7)8/h1-3H,4H2 (Found by conversion of search term to chemical structure (connectivity match))

ChemSpider 2D Image | (2E)-4-Oxo-2-buten-1-yl nitrate | C4H5NO4

(2E)-4-Oxo-2-buten-1-yl nitrate

  • Molecular FormulaC4H5NO4
  • Average mass131.087 Da
  • Monoisotopic mass131.021851 Da
  • ChemSpider ID102902831
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-4-Oxo-2-buten-1-yl nitrate [ACD/IUPAC Name]
(2E)-4-Oxo-2-buten-1-ylnitrat [German] [ACD/IUPAC Name]
2-Butenal, 4-(nitrooxy)-, (2E)- [ACD/Index Name]
Nitrate de (2E)-4-oxo-2-butén-1-yle [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: 227.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.4±3.0 kJ/mol
Flash Point: 123.7±27.4 °C
Index of Refraction: 1.459
Molar Refractivity: 28.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 68.72
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.59
ACD/KOC (pH 7.4): 68.72
Polar Surface Area: 72 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 104.6±3.0 cm3

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