ChemSpider 2D Image | Ethyl 4-(4-methylphenyl)-3-oxobutanoate | C13H16O3

Ethyl 4-(4-methylphenyl)-3-oxobutanoate

  • Molecular FormulaC13H16O3
  • Average mass220.264 Da
  • Monoisotopic mass220.109940 Da
  • ChemSpider ID21108005

More details:

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

3-OXO-4-P-TOLYL-BUTYRIC ACID ETHYL ESTER
4-(4-Méthylphényl)-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 4-methyl-β-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-methylphenyl)-3-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-(4-methylphenyl)-3-oxobutanoat [German] [ACD/IUPAC Name]
2-Methyl-3-[(methylamino)methyl]pyridine
3-oxo-4-p-tolylbutyric acid ethyl ester
4-(4-methylphenyl)-3-oxobutanoic acid ethyl ester
4-Methyl-b-oxo-benzenebutanoic acid ethyl ester
4-p-tolyl-acetoacetic acid ethyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [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: 309.2±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.0±3.0 kJ/mol
    Flash Point: 132.8±22.4 °C
    Index of Refraction: 1.506
    Molar Refractivity: 61.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.91
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 52.75
    ACD/KOC (pH 5.5): 594.80
    ACD/LogD (pH 7.4): 2.57
    ACD/BCF (pH 7.4): 52.70
    ACD/KOC (pH 7.4): 594.23
    Polar Surface Area: 43 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 38.3±3.0 dyne/cm
    Molar Volume: 205.2±3.0 cm3

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