ChemSpider 2D Image | 3-Ethyl-1,2,4-oxadiazol-5(2H)-one | C4H6N2O2

3-Ethyl-1,2,4-oxadiazol-5(2H)-one

  • Molecular FormulaC4H6N2O2
  • Average mass114.103 Da
  • Monoisotopic mass114.042931 Da
  • ChemSpider ID15514758

More details:

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

1,2,4-Oxadiazol-5-ol, 3-ethyl- [ACD/Index Name]
3-Ethyl-1,2,4-oxadiazol-5(2H)-on [German] [ACD/IUPAC Name]
3-Ethyl-1,2,4-oxadiazol-5(2H)-one [ACD/IUPAC Name]
3-Éthyl-1,2,4-oxadiazol-5(2H)-one [French] [ACD/IUPAC Name]
57689-63-1 [RN]
MFCD18917027 [MDL number]
1,2,4-OXADIAZOL-5(4H)-ONE, 3-ETHYL-
3-ethyl-1,2,4-oxadiazol-5-ol|1,2,4-oxadiazol-5-ol, 3-ethyl-
3-ethyl-2H-1,2,4-oxadiazol-5-one
MFCD16818272 [MDL number]
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 257.4±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 51.5±3.0 kJ/mol
    Flash Point: 109.5±22.6 °C
    Index of Refraction: 1.494
    Molar Refractivity: 26.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.17
    ACD/LogD (pH 5.5): -2.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 59 Å2
    Polarizability: 10.4±0.5 10-24cm3
    Surface Tension: 51.7±3.0 dyne/cm
    Molar Volume: 89.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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