ChemSpider 2D Image | Ethyl 3-ethylisoxazole-5-carboxylate | C8H11NO3

Ethyl 3-ethylisoxazole-5-carboxylate

  • Molecular FormulaC8H11NO3
  • Average mass169.178 Da
  • Monoisotopic mass169.073898 Da
  • ChemSpider ID21800425

More details:

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

3-Éthyl-1,2-oxazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Isoxazolecarboxylic acid, 3-ethyl-, ethyl ester [ACD/Index Name]
90087-37-9 [RN]
Ethyl 3-ethyl-1,2-oxazole-5-carboxylate [ACD/IUPAC Name]
Ethyl 3-ethylisoxazole-5-carboxylate
Ethyl-3-ethyl-1,2-oxazol-5-carboxylat [German] [ACD/IUPAC Name]
[90087-37-9] [RN]
3-Ethylisoxazole-5-carboxylic acid ethyl ester
3-Ethyl-isoxazole-5-carboxylic acid ethyl ester
ethyl 3-ethyl-5-isoxazolecarboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
MFCD12026941 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 268.2±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.6±3.0 kJ/mol
    Flash Point: 116.0±24.0 °C
    Index of Refraction: 1.470
    Molar Refractivity: 42.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.38
    ACD/LogD (pH 5.5): 1.62
    ACD/BCF (pH 5.5): 10.10
    ACD/KOC (pH 5.5): 182.21
    ACD/LogD (pH 7.4): 1.62
    ACD/BCF (pH 7.4): 10.10
    ACD/KOC (pH 7.4): 182.21
    Polar Surface Area: 52 Å2
    Polarizability: 16.9±0.5 10-24cm3
    Surface Tension: 37.0±3.0 dyne/cm
    Molar Volume: 152.7±3.0 cm3

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