ChemSpider 2D Image | 5,8-Difluoroisoquinoline | C9H5F2N

5,8-Difluoroisoquinoline

  • Molecular FormulaC9H5F2N
  • Average mass165.139 Da
  • Monoisotopic mass165.039001 Da
  • ChemSpider ID58183113

More details:

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

5,8-Difluorisochinolin [German] [ACD/IUPAC Name]
5,8-Difluoroisoquinoléine [French] [ACD/IUPAC Name]
5,8-Difluoroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 5,8-difluoro- [ACD/Index Name]
1895191-24-8 [RN]
MFCD29991227

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 258.4±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.6±3.0 kJ/mol
    Flash Point: 110.1±21.8 °C
    Index of Refraction: 1.589
    Molar Refractivity: 42.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): 2.04
    ACD/BCF (pH 5.5): 20.72
    ACD/KOC (pH 5.5): 302.67
    ACD/LogD (pH 7.4): 2.05
    ACD/BCF (pH 7.4): 21.20
    ACD/KOC (pH 7.4): 309.73
    Polar Surface Area: 13 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 42.4±3.0 dyne/cm
    Molar Volume: 125.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement