ChemSpider 2D Image | 1-(3-Chlorophenyl)-1,2-propanedione | C9H7ClO2

1-(3-Chlorophenyl)-1,2-propanedione

  • Molecular FormulaC9H7ClO2
  • Average mass182.604 Da
  • Monoisotopic mass182.013458 Da
  • ChemSpider ID25720050

More details:

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

1-(3'-Chlorophenyl)-1,2-propanedione
1-(3-Chlorophenyl)-1,2-propanedione [ACD/IUPAC Name]
1-(3-Chlorophényl)-1,2-propanedione [French] [ACD/IUPAC Name]
1-(3-Chlorphenyl)-1,2-propandion [German] [ACD/IUPAC Name]
1,2-Propanedione, 1-(3-chlorophenyl)- [ACD/Index Name]
10557-17-2 [RN]
MFCD18379289 [MDL number]
[10557-17-2] [RN]
1-(3′-Chlorophenyl)-1,2-propanedione
1-(3-Chlorophenyl)-1,2-propandione
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 278.4±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.7±3.0 kJ/mol
    Flash Point: 115.8±23.2 °C
    Index of Refraction: 1.538
    Molar Refractivity: 45.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.61
    ACD/LogD (pH 5.5): 1.99
    ACD/BCF (pH 5.5): 18.99
    ACD/KOC (pH 5.5): 286.23
    ACD/LogD (pH 7.4): 1.99
    ACD/BCF (pH 7.4): 18.99
    ACD/KOC (pH 7.4): 286.23
    Polar Surface Area: 34 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 42.1±3.0 dyne/cm
    Molar Volume: 146.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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