ChemSpider 2D Image | 2-Oxo-1,3-dioxolane-4-carbonitrile | C4H3NO3

2-Oxo-1,3-dioxolane-4-carbonitrile

  • Molecular FormulaC4H3NO3
  • Average mass113.072 Da
  • Monoisotopic mass113.011292 Da
  • ChemSpider ID28580142

More details:






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

1,3-Dioxolane-4-carbonitrile, 2-oxo- [ACD/Index Name]
2-Oxo-1,3-dioxolan-4-carbonitril [German] [ACD/IUPAC Name]
2-Oxo-1,3-dioxolane-4-carbonitrile [ACD/IUPAC Name]
2-Oxo-1,3-dioxolane-4-carbonitrile [French] [ACD/IUPAC Name]
827300-17-4 [RN]
MFCD30603992

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 434.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 189.7±17.0 °C
Index of Refraction: 1.460
Molar Refractivity: 22.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.52
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.41
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.41
Polar Surface Area: 59 Å2
Polarizability: 8.7±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 80.4±5.0 cm3

Click to predict properties on the Chemicalize site






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