ChemSpider 2D Image | Ethyl 3-isopropyl-1,2,4-oxadiazole-5-carboxylate | C8H12N2O3

Ethyl 3-isopropyl-1,2,4-oxadiazole-5-carboxylate

  • Molecular FormulaC8H12N2O3
  • Average mass184.193 Da
  • Monoisotopic mass184.084793 Da
  • ChemSpider ID28638278

More details:

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

1,2,4-Oxadiazole-5-carboxylic acid, 3-(1-methylethyl)-, ethyl ester [ACD/Index Name]
163719-70-8 [RN]
3-Isopropyl-1,2,4-oxadiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(1-methylethyl)-1,2,4-oxadiazole-5-carboxylate
ethyl 3-(propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
Ethyl 3-isopropyl-1,2,4-oxadiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-3-isopropyl-1,2,4-oxadiazol-5-carboxylat [German] [ACD/IUPAC Name]
1,2,4-Oxadiazole-5-carboxylicacid, 3-(1-methylethyl)-, ethyl ester
3-Isopropyl-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester
3-iso-Propyl-1,2,4-oxadiazole-5-carboxylic acid ethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 263.2±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.1±3.0 kJ/mol
    Flash Point: 113.0±22.6 °C
    Index of Refraction: 1.468
    Molar Refractivity: 45.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.25
    ACD/LogD (pH 5.5): 1.33
    ACD/BCF (pH 5.5): 6.08
    ACD/KOC (pH 5.5): 126.69
    ACD/LogD (pH 7.4): 1.33
    ACD/BCF (pH 7.4): 6.08
    ACD/KOC (pH 7.4): 126.69
    Polar Surface Area: 65 Å2
    Polarizability: 18.0±0.5 10-24cm3
    Surface Tension: 39.6±3.0 dyne/cm
    Molar Volume: 163.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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