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Properties of 1-(Bromomethyl)-4-[(trifluoromethyl)thio]benzene

Thermophysical properties for 1-(Bromomethyl)-4-[(trifluoromethyl)thio]benzene (CAS: 21101-63-3). 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
    Br: 1, C: 8, F: 3, H: 6, S: 1
  • CAS
    21101-63-3
  • Formula
    C8H6BrF3S
  • ID
    21101-63-3
  • InChI
    C8H6BrF3S/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
  • InChI Key
    VAYGJBCOCRVROJ-UHFFFAOYSA-N
  • IUPAC Name
    1-(bromomethyl)-4-(trifluoromethylsulfanyl)benzene
  • Molecular Weight (kg)
    271.097
  • Phase
    s
  • PubChem ID
    2.7779e+6
  • SMILES
    FC(F)(F)Sc1ccc(CBr)cc1
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    34.6021
  • Critical temperature (°C)
    500.159
  • Critical volume (m³/kmol)
    0.5345
  • Dipole moment
  • Melting temperature (°C)
    52.25
  • Normal boiling temperature (°C)
    105.5

State-dependent Properties

  • API gravity
    -36.2196
  • Compressibility factor
    0.00672763
  • Density (kg/m³)
    1647.07
  • 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))
    182.249
  • Molar volume (m³/kmol)
    0.164594
  • Parachor
    6.2738e-5
  • Poynting correction factor
    1.00637
  • Prandtl number
  • Saturation pressure (bar)
    0.156491
  • Saturation temperature (°C)
    105.5
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.64869
  • Specific heat capacity (kJ/kg·K)
    0.672262
  • Surface tension
    0.0132076
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.0118996
  • Upper flammability limit
    0.0757248

Environmental Properties

  • Global warming potential
  • Ozone depletion potential