ChemSpider 2D Image | Diethyl 3-butyn-1-ylmalonate | C11H16O4

Diethyl 3-butyn-1-ylmalonate

  • Molecular FormulaC11H16O4
  • Average mass212.242 Da
  • Monoisotopic mass212.104858 Da
  • ChemSpider ID28599844

More details:

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

3-Butyn-1-ylmalonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 3-butyn-1-ylmalonate [ACD/IUPAC Name]
Diethyl-3-butin-1-ylmalonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-(3-butyn-1-yl)-, diethyl ester [ACD/Index Name]
[117500-15-9] [RN]
1,3-diethyl 2-(but-3-yn-1-yl)propanedioate
117500-15-9 [RN]
2,5-Dimethoxybenzyl 3-methylbutanoate [ACD/IUPAC Name]
3-Butynylmalonic acid diethyl ester
Diethyl (but-3-yn-1-yl)propanedioate
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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: 274.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.3±3.0 kJ/mol
    Flash Point: 128.0±23.0 °C
    Index of Refraction: 1.453
    Molar Refractivity: 54.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.88
    ACD/LogD (pH 5.5): 1.83
    ACD/BCF (pH 5.5): 14.46
    ACD/KOC (pH 5.5): 235.58
    ACD/LogD (pH 7.4): 1.83
    ACD/BCF (pH 7.4): 14.46
    ACD/KOC (pH 7.4): 235.57
    Polar Surface Area: 53 Å2
    Polarizability: 21.5±0.5 10-24cm3
    Surface Tension: 36.8±3.0 dyne/cm
    Molar Volume: 201.2±3.0 cm3

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