ChemSpider 2D Image | 3-Nitro-1-(4-octylphenyl)-1-propanone | C17H25NO3

3-Nitro-1-(4-octylphenyl)-1-propanone

  • Molecular FormulaC17H25NO3
  • Average mass291.385 Da
  • Monoisotopic mass291.183441 Da
  • ChemSpider ID26519293

More details:

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

1-Propanone, 3-nitro-1-(4-octylphenyl)- [ACD/Index Name]
3-Nitro-1-(4-octylphenyl)-1-propanon [German] [ACD/IUPAC Name]
3-Nitro-1-(4-octylphenyl)-1-propanone [ACD/IUPAC Name]
3-Nitro-1-(4-octylphényl)-1-propanone [French] [ACD/IUPAC Name]
899822-97-0 [RN]
3-nitro-1-(4-octylphenyl)-preopanone
3-NITRO-1-(4-OCTYLPHENYL)PROPAN-1-ONE
MFCD23142621

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 441.7±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.9±3.0 kJ/mol
    Flash Point: 193.7±19.6 °C
    Index of Refraction: 1.509
    Molar Refractivity: 84.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 5.94
    ACD/LogD (pH 5.5): 5.55
    ACD/BCF (pH 5.5): 9672.62
    ACD/KOC (pH 5.5): 24730.55
    ACD/LogD (pH 7.4): 5.30
    ACD/BCF (pH 7.4): 5489.37
    ACD/KOC (pH 7.4): 14035.00
    Polar Surface Area: 63 Å2
    Polarizability: 33.4±0.5 10-24cm3
    Surface Tension: 39.2±3.0 dyne/cm
    Molar Volume: 282.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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