ChemSpider 2D Image | Diethyl 2-isopropyl-3-oxosuccinate | C11H18O5

Diethyl 2-isopropyl-3-oxosuccinate

  • Molecular FormulaC11H18O5
  • Average mass230.258 Da
  • Monoisotopic mass230.115417 Da
  • ChemSpider ID28292059

More details:

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

2-Isopropyl-3-oxosuccinate de diéthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(1-methylethyl)-3-oxo-, diethyl ester [ACD/Index Name]
Diethyl 2-isopropyl-3-oxosuccinate [ACD/IUPAC Name]
Diethyl-2-isopropyl-3-oxosuccinat [German] [ACD/IUPAC Name]
1,2-Cyclopropanedicarboxylicacid, 1,2-dimethyl ester, (1R,2R)-rel-
1,4-diethyl 2-oxo-3-(propan-2-yl)butanedioate
2-isopropyl-3-oxo-succinic acid diethyl ester
59916-75-5 [RN]
Butanedioicacid,2-(1-methylethyl)-3-oxo-,1,4-diethylester
MFCD00511085

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 294.2±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.4±3.0 kJ/mol
    Flash Point: 124.5±22.7 °C
    Index of Refraction: 1.439
    Molar Refractivity: 56.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 1.91
    ACD/LogD (pH 5.5): 1.89
    ACD/BCF (pH 5.5): 16.20
    ACD/KOC (pH 5.5): 255.48
    ACD/LogD (pH 7.4): 1.89
    ACD/BCF (pH 7.4): 16.10
    ACD/KOC (pH 7.4): 253.92
    Polar Surface Area: 70 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 34.0±3.0 dyne/cm
    Molar Volume: 214.9±3.0 cm3

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