ChemSpider 2D Image | 1-Isocyanato-3,3-dimethylbutane | C7H13NO

1-Isocyanato-3,3-dimethylbutane

  • Molecular FormulaC7H13NO
  • Average mass127.184 Da
  • Monoisotopic mass127.099716 Da
  • ChemSpider ID14404939

More details:

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

1-Isocyanato-3,3-dimethylbutan [German] [ACD/IUPAC Name]
1-Isocyanato-3,3-dimethylbutane [ACD/IUPAC Name]
1-Isocyanato-3,3-diméthylbutane [French] [ACD/IUPAC Name]
Butane, 1-isocyanato-3,3-dimethyl- [ACD/Index Name]
1-Isocyanato-3,3-dimethyl-butane
947612-21-7 [RN]
AKOS023252281
MFCD24451012
SCHEMBL9472178

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 148.8±9.0 °C at 760 mmHg
    Vapour Pressure: 4.2±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 38.6±3.0 kJ/mol
    Flash Point: 42.7±13.6 °C
    Index of Refraction: 1.430
    Molar Refractivity: 38.7±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.12
    ACD/LogD (pH 5.5): 2.97
    ACD/BCF (pH 5.5): 105.83
    ACD/KOC (pH 5.5): 979.09
    ACD/LogD (pH 7.4): 2.97
    ACD/BCF (pH 7.4): 105.83
    ACD/KOC (pH 7.4): 979.09
    Polar Surface Area: 29 Å2
    Polarizability: 15.3±0.5 10-24cm3
    Surface Tension: 27.4±7.0 dyne/cm
    Molar Volume: 149.7±7.0 cm3

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