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

4-Iodo-2-(trifluoromethyl)benzoic acid

  • Molecular FormulaC8H4F3IO2
  • Average mass316.016 Da
  • Monoisotopic mass315.920807 Da
  • ChemSpider ID21786849

More details:

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

4-Iod-2-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
4-Iodo-2-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
954815-11-3 [RN]
Acide 4-iodo-2-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-iodo-2-(trifluoromethyl)- [ACD/Index Name]
[954815-11-3] [RN]
2-(trifluoroMethyl)-4-iodobenzoic acid
4-Iodo-2-(trifluoromethyl)benzoicacid
4-iodo-2-trifluoromethylbenzoic acid
4-Iodo-2-trifluoromethyl-benzoic acid
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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: 2.0±0.1 g/cm3
    Boiling Point: 305.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.6±3.0 kJ/mol
    Flash Point: 138.4±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: 4.19
    ACD/LogD (pH 5.5): 1.53
    ACD/BCF (pH 5.5): 2.32
    ACD/KOC (pH 5.5): 13.48
    ACD/LogD (pH 7.4): 0.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.38
    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

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