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Properties of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride

Thermophysical properties for 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride (CAS: 69399-79-7). 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: 11, Cl: 2, F: 1, H: 6, N: 1, O: 2
  • CAS
    69399-79-7
  • Formula
    C11H6Cl2FNO2
  • ID
    69399-79-7
  • InChI
    C11H6Cl2FNO2/c1-5-8(11(13)16)10(15-17-5)9-6(12)3-2-4-7(9)14/h2-4H,1H3
  • InChI Key
    XJCUKCOLGJDGGN-UHFFFAOYSA-N
  • IUPAC Name
    3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
  • Molecular Weight (kg)
    274.075
  • Phase
    s
  • PubChem ID
    2.7366e+6
  • SMILES
    Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Cl
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    30.9673
  • Critical temperature (°C)
    707.576
  • Critical volume (m³/kmol)
    0.6495
  • Dipole moment
  • Melting temperature (°C)
    182.5
  • Normal boiling temperature (°C)
    456.63

State-dependent Properties

  • API gravity
    -33.0037
  • Compressibility factor
    0.00722748
  • Density (kg/m³)
    1549.99
  • 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))
    216.709
  • Molar volume (m³/kmol)
    0.176823
  • Parachor
    9.7535e-5
  • Poynting correction factor
    1.00787
  • Prandtl number
  • Saturation pressure (bar)
    4.0077e-9
  • Saturation temperature (°C)
    456.63
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.55152
  • Specific heat capacity (kJ/kg·K)
    0.790691
  • Surface tension
    0.064803
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00986724
  • Upper flammability limit
    0.0627915

Environmental Properties

  • Global warming potential
  • Ozone depletion potential