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Properties of 4-[(Trifluoromethyl)thio]benzoic acid

Thermophysical properties for 4-[(Trifluoromethyl)thio]benzoic acid (CAS: 330-17-6). Use the selector below to view properties in different unit systems.

Calculation Conditions

The following state-dependent properties were calculated at these standard conditions.

Temperature

25 °C

Pressure

1.01325 bar

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Identification

  • Atoms
    C: 8, F: 3, H: 5, O: 2, S: 1
  • CAS
    330-17-6
  • Formula
    C8H5F3O2S
  • ID
    330-17-6
  • InChI
    C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
  • InChI Key
    UMOGQQWVQUQTQA-UHFFFAOYSA-N
  • IUPAC Name
    4-(trifluoromethylsulfanyl)benzoic acid
  • Molecular Weight (kg)
    222.184
  • Phase
    s
  • PubChem ID
    2.7779e+6
  • SMILES
    O=C(O)c1ccc(SC(F)(F)F)cc1
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    35.4308
  • Critical temperature (°C)
    577.422
  • Critical volume (m³/kmol)
    0.4965
  • Dipole moment
  • Melting temperature (°C)
    160.5
  • Normal boiling temperature (°C)
    350.02

State-dependent Properties

  • API gravity
    -36.4074
  • Compressibility factor
    0.00571346
  • Density (kg/m³)
    1589.5
  • Dynamic viscosity (cP)
    0
  • Enthalpy of vaporization (mass) (kJ)
    0
  • Enthalpy of vaporization (molar) (kJ/kmol)
  • Gibbs free energy (kJ/kmol)
    0
  • Joule–Thomson coefficient
  • Kinematic viscosity
  • Molar enthalpy (kJ/kmol)
    0
  • Molar entropy (kJ/(kmol·K))
    0
  • Molar heat capacity (kJ/(kmol·K))
    178.648
  • Molar volume (m³/kmol)
    0.139782
  • Parachor
    7.5024e-5
  • Poynting correction factor
    1.00616
  • Prandtl number
  • Saturation pressure (bar)
    5.1457e-7
  • Saturation temperature (°C)
    350.021
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.59107
  • Specific heat capacity (kJ/kg·K)
    0.804053
  • Surface tension
    0.0606467
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.0136578
  • Upper flammability limit
    0.0869133

Environmental Properties

  • Global warming potential
  • Ozone depletion potential