ChemSpider 2D Image | 4-Methyl-3-(2,2,2-trifluoroethoxy)-2-thiophenecarboxylic acid | C8H7F3O3S

4-Methyl-3-(2,2,2-trifluoroethoxy)-2-thiophenecarboxylic acid

  • Molecular FormulaC8H7F3O3S
  • Average mass240.200 Da
  • Monoisotopic mass240.006805 Da
  • ChemSpider ID58223591

More details:

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

2-Thiophenecarboxylic acid, 4-methyl-3-(2,2,2-trifluoroethoxy)- [ACD/Index Name]
4-Methyl-3-(2,2,2-trifluorethoxy)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-Methyl-3-(2,2,2-trifluoroethoxy)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-méthyl-3-(2,2,2-trifluoroéthoxy)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
2092264-88-3 [RN]
4-methyl-3-(2,2,2-trifluoroethoxy)thiophene-2-carboxylic acid
MFCD30003079

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 289.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 55.9±3.0 kJ/mol
    Flash Point: 129.0±27.3 °C
    Index of Refraction: 1.497
    Molar Refractivity: 48.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.60
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.25
    ACD/LogD (pH 7.4): -0.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 38.6±3.0 dyne/cm
    Molar Volume: 164.6±3.0 cm3

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