ChemSpider 2D Image | 2,3-Butanedione-d6 | C4D6O2

2,3-Butanedione-d6

  • Molecular FormulaC4D6O2
  • Average mass92.126 Da
  • Monoisotopic mass92.074440 Da
  • ChemSpider ID24532261

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H6)Butane-2,3-dione
2,3-(2H6)Butandion [German] [ACD/IUPAC Name]
2,3-(2H6)Butanedione [ACD/IUPAC Name]
2,3-(2H6)Butanedione [French] [ACD/IUPAC Name]
2,3-Butanedione-d6 [ACD/Index Name]
2,3-Butanedione-d6
22026-37-5 [RN]
1,1,1,4,4,4-hexadeuteriobutane-2,3-dione
2,3-butanedione-d6 (major)
2,3-Diketobutane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 827 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 88.0±0.0 °C at 760 mmHg
    Vapour Pressure: 62.3±0.1 mmHg at 25°C
    Enthalpy of Vaporization: 32.8±3.0 kJ/mol
    Flash Point: 7.2±0.0 °C
    Index of Refraction: 1.381
    Molar Refractivity: 20.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -1.33
    ACD/LogD (pH 5.5): -0.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.44
    ACD/LogD (pH 7.4): -0.74
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 9.44
    Polar Surface Area: 34 Å2
    Polarizability: 8.2±0.5 10-24cm3
    Surface Tension: 26.5±3.0 dyne/cm
    Molar Volume: 88.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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