ChemSpider 2D Image | Ethyl 5-Isopropyl-3-Isoxazolecarboxylate | C9H13NO3

Ethyl 5-Isopropyl-3-Isoxazolecarboxylate

  • Molecular FormulaC9H13NO3
  • Average mass183.204 Da
  • Monoisotopic mass183.089539 Da
  • ChemSpider ID13541598

More details:

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

3-Isoxazolecarboxylic acid, 5-(1-methylethyl)-, ethyl ester [ACD/Index Name]
5-Isopropyl-1,2-oxazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
91240-30-1 [RN]
Ethyl 5-isopropyl-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
Ethyl 5-Isopropyl-3-Isoxazolecarboxylate
ethyl 5-isopropylisoxazole-3-carboxylate
Ethyl-5-isopropyl-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
2-isopropyl-4,5-dihydrooxazole-4-carboxylic acid;2-Isopropyloxazole-4-carboxylic Acid
ethyl 5-(methylethyl)isoxazole-3-carboxylate
Ethyl 5-(propan-2-yl)-1,2-oxazole-3-carboxylate
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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: 267.0±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.5±3.0 kJ/mol
    Flash Point: 115.3±24.0 °C
    Index of Refraction: 1.468
    Molar Refractivity: 47.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.93
    ACD/LogD (pH 5.5): 2.10
    ACD/BCF (pH 5.5): 23.35
    ACD/KOC (pH 5.5): 331.93
    ACD/LogD (pH 7.4): 2.10
    ACD/BCF (pH 7.4): 23.35
    ACD/KOC (pH 7.4): 331.93
    Polar Surface Area: 52 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 35.6±3.0 dyne/cm
    Molar Volume: 169.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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