ChemSpider 2D Image | 2-Oxopropanoyl isocyanate | C4H3NO3

2-Oxopropanoyl isocyanate

  • Molecular FormulaC4H3NO3
  • Average mass113.072 Da
  • Monoisotopic mass113.011292 Da
  • ChemSpider ID73952509

More details:

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

2-Oxopropanoyl isocyanate [ACD/IUPAC Name]
2-Oxopropanoylisocyanat [German] [ACD/IUPAC Name]
Isocyanate de 2-oxopropanoyle [French] [ACD/IUPAC Name]
Propanoyl isocyanate, 2-oxo- [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: 175.8±23.0 °C at 760 mmHg
Vapour Pressure: 1.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.2±3.0 kJ/mol
Flash Point: 62.7±28.0 °C
Index of Refraction: 1.484
Molar Refractivity: 26.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.06
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.45
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.45
Polar Surface Area: 64 Å2
Polarizability: 10.5±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 92.3±7.0 cm3

Click to predict properties on the Chemicalize site


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