ChemSpider 2D Image | (2,2,7,7-~2~H_4_)Cycloheptanone | C7H8D4O

(2,2,7,7-2H4)Cycloheptanone

  • Molecular FormulaC7H8D4O
  • Average mass116.194 Da
  • Monoisotopic mass116.113922 Da
  • ChemSpider ID73991561

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,2,7,7-2H4)Cycloheptanon [German] [ACD/IUPAC Name]
(2,2,7,7-2H4)Cycloheptanone [ACD/IUPAC Name]
(2,2,7,7-2H4)Cycloheptanone [French] [ACD/IUPAC Name]
Cycloheptanone-2,2,7,7-d4 [ACD/Index Name]
17616-76-1 [RN]
cycloheptanone-2,2,7,7-d4

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 180.0±0.0 °C at 760 mmHg
    Vapour Pressure: 0.9±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 41.6±3.0 kJ/mol
    Flash Point: 55.6±0.0 °C
    Index of Refraction: 1.450
    Molar Refractivity: 32.4±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.33
    ACD/LogD (pH 5.5): 1.20
    ACD/BCF (pH 5.5): 4.79
    ACD/KOC (pH 5.5): 106.80
    ACD/LogD (pH 7.4): 1.20
    ACD/BCF (pH 7.4): 4.79
    ACD/KOC (pH 7.4): 106.80
    Polar Surface Area: 17 Å2
    Polarizability: 12.8±0.5 10-24cm3
    Surface Tension: 31.5±3.0 dyne/cm
    Molar Volume: 120.7±3.0 cm3

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