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Search term: 141327-44-8 (Found by approved synonym)
ChemSpider 2D Image | 2-Acetyl-butanoic-d5 Acid Ethyl Ester | C8H9D5O3

2-Acetyl-butanoic-d5 Acid Ethyl Ester

  • Molecular FormulaC8H9D5O3
  • Average mass163.226 Da
  • Monoisotopic mass163.125671 Da
  • ChemSpider ID23976397

  • Non-standard isotope - Non-standard isotope

More details:

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

141327-44-8 [RN]
2-(2H5)Éthyl-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
2-Acetyl-butanoic-d5 Acid Ethyl Ester
Butanoic-3,3,4,4,4-d5 acid, 2-acetyl-, ethyl ester [ACD/Index Name]
Ethyl 2-(2H5)ethyl-3-oxobutanoate [ACD/IUPAC Name]
Ethyl-2-(2H5)ethyl-3-oxobutanoat [German] [ACD/IUPAC Name]
2-Acetylbutanoic-d5 Acid Ethyl Ester
ethyl 2-acetyl-3,3,4,4,4-pentadeuteriobutanoate

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 190.0±0.0 °C at 760 mmHg
    Vapour Pressure: 0.6±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 42.6±3.0 kJ/mol
    Flash Point: 75.7±18.5 °C
    Index of Refraction: 1.420
    Molar Refractivity: 40.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.60
    ACD/LogD (pH 5.5): 1.13
    ACD/BCF (pH 5.5): 4.29
    ACD/KOC (pH 5.5): 98.71
    ACD/LogD (pH 7.4): 1.13
    ACD/BCF (pH 7.4): 4.29
    ACD/KOC (pH 7.4): 98.70
    Polar Surface Area: 43 Å2
    Polarizability: 16.2±0.5 10-24cm3
    Surface Tension: 29.8±3.0 dyne/cm
    Molar Volume: 161.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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