ChemSpider 2D Image | 3-Iodo-4-(trifluoromethyl)benzoic acid | C8H4F3IO2

3-Iodo-4-(trifluoromethyl)benzoic acid

  • Molecular FormulaC8H4F3IO2
  • Average mass316.016 Da
  • Monoisotopic mass315.920807 Da
  • ChemSpider ID29304709

More details:

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

3-Iod-4-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
3-Iodo-4-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 3-iodo-4-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-iodo-4-(trifluoromethyl)- [ACD/Index Name]
1034690-61-3 [RN]
3-Iodo-α,α,α-trifluoro-p-toluic acid
4-Carboxy-2-iodobenzotrifluoride
4-Carboxy-2-iodobenzotrifluoride, 3-Iodo-α,α,α-trifluoro-p-toluic acid
4-Carboxy-2-iodobenzotrifluoride; 3-Iodo-α,α,α-trifluoro-p-toluic acid
MFCD18398157 [MDL number]
More...

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 324.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.7±3.0 kJ/mol
    Flash Point: 149.7±27.9 °C
    Index of Refraction: 1.562
    Molar Refractivity: 51.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.51
    ACD/LogD (pH 5.5): 1.67
    ACD/BCF (pH 5.5): 3.39
    ACD/KOC (pH 5.5): 20.84
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.18
    Polar Surface Area: 37 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 42.5±3.0 dyne/cm
    Molar Volume: 157.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement