Found 1 result

Search term: InChI=1S/C5H9NO4/c1-4(7)5(2,3)10-6(8)9/h1-3H3 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 2-Methyl-3-oxo-2-butanyl nitrate | C5H9NO4

2-Methyl-3-oxo-2-butanyl nitrate

  • Molecular FormulaC5H9NO4
  • Average mass147.129 Da
  • Monoisotopic mass147.053162 Da
  • ChemSpider ID62067719

More details:






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

2-Butanone, 3-methyl-3-(nitrooxy)- [ACD/Index Name]
2-Methyl-3-oxo-2-butanyl nitrate [ACD/IUPAC Name]
2-Methyl-3-oxo-2-butanylnitrat [German] [ACD/IUPAC Name]
Nitrate de 2-méthyl-3-oxo-2-butanyle [French] [ACD/IUPAC Name]
100432-00-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 184.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.1±3.0 kJ/mol
Flash Point: 76.9±24.6 °C
Index of Refraction: 1.431
Molar Refractivity: 33.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.91
ACD/KOC (pH 5.5): 124.18
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.91
ACD/KOC (pH 7.4): 124.18
Polar Surface Area: 72 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 127.4±3.0 cm3

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