ChemSpider 2D Image | 2,2-Bis[(~2~H_3_)methyl]butanoyl chloride | C6H5D6ClO

2,2-Bis[(2H3)methyl]butanoyl chloride

  • Molecular FormulaC6H5D6ClO
  • Average mass140.641 Da
  • Monoisotopic mass140.087509 Da
  • ChemSpider ID23935998

  • Non-standard isotope - Non-standard isotope

More details:

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

2,2-Bis[(2H3)methyl]butanoyl chloride [ACD/IUPAC Name]
2,2-Bis[(2H3)methyl]butanoylchlorid [German] [ACD/IUPAC Name]
Butanoyl chloride, 2,2-di(methyl-d3)- [ACD/Index Name]
Chlorure de 2,2-bis[(2H3)méthyl]butanoyle [French] [ACD/IUPAC Name]
1185011-66-8 [RN]
2,2-bis(trideuteriomethyl)butanoyl chloride
2,2-Dimethyl-d6-butyryl Chloride

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 131.8±8.0 °C at 760 mmHg
    Vapour Pressure: 9.1±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 36.9±3.0 kJ/mol
    Flash Point: 30.2±10.9 °C
    Index of Refraction: 1.423
    Molar Refractivity: 34.7±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): 2.23
    ACD/BCF (pH 5.5): 29.09
    ACD/KOC (pH 5.5): 388.51
    ACD/LogD (pH 7.4): 2.23
    ACD/BCF (pH 7.4): 29.09
    ACD/KOC (pH 7.4): 388.51
    Polar Surface Area: 17 Å2
    Polarizability: 13.8±0.5 10-24cm3
    Surface Tension: 26.7±3.0 dyne/cm
    Molar Volume: 136.1±3.0 cm3

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