ChemSpider 2D Image | 2,2-Dimethyl-4-oxocyclohexanecarboxylic acid | C9H14O3

2,2-Dimethyl-4-oxocyclohexanecarboxylic acid

  • Molecular FormulaC9H14O3
  • Average mass170.206 Da
  • Monoisotopic mass170.094299 Da
  • ChemSpider ID23500431

More details:

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

2,2-Dimethyl-4-oxocyclohexancarbonsäure [German] [ACD/IUPAC Name]
2,2-dimethyl-4-oxocyclohexane-1-carboxylic acid
2,2-Dimethyl-4-oxocyclohexanecarboxylic acid [ACD/IUPAC Name]
2,2-Dimethyl-4-oxo-cyclohexanecarboxylic acid
4029-26-9 [RN]
Acide 2,2-diméthyl-4-oxocyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2,2-dimethyl-4-oxo- [ACD/Index Name]
[4029-26-9] [RN]
2,2-dimethyl-4-oxocyclohexanecarboxylicacid
AGN-PC-09LITT
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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: 301.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 59.6±6.0 kJ/mol
    Flash Point: 150.4±22.4 °C
    Index of Refraction: 1.475
    Molar Refractivity: 43.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.78
    ACD/LogD (pH 5.5): -0.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.62
    ACD/LogD (pH 7.4): -2.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 54 Å2
    Polarizability: 17.1±0.5 10-24cm3
    Surface Tension: 38.4±3.0 dyne/cm
    Molar Volume: 153.6±3.0 cm3

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