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Properties of benzoic acid, 3-chloro-5-iodo-, methyl ester

Thermophysical properties for benzoic acid, 3-chloro-5-iodo-, methyl ester (CAS: 289039-85-6). 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, Cl: 1, H: 6, I: 1, O: 2
  • CAS
    289039-85-6
  • Formula
    C8H6ClIO2
  • ID
    289039-85-6
  • InChI
    C8H6ClIO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
  • InChI Key
    ZDSIXLJPASGHDW-UHFFFAOYSA-N
  • IUPAC Name
    methyl 3-chloro-5-iodobenzoate
  • Molecular Weight (kg)
    296.49
  • Phase
    s
  • PubChem ID
    2.4721e+7
  • SMILES
    COC(=O)c1cc(Cl)cc(I)c1
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    33.0675
  • Critical temperature (°C)
    590.284
  • Critical volume (m³/kmol)
    0.5385
  • Dipole moment
  • Melting temperature (°C)
    43.5
  • Normal boiling temperature (°C)
    334.92

State-dependent Properties

  • API gravity
    -54.4734
  • Compressibility factor
    0.00593828
  • Density (kg/m³)
    2040.78
  • 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))
    174.729
  • Molar volume (m³/kmol)
    0.145282
  • Parachor
    7.6798e-5
  • Poynting correction factor
    1.00666
  • Prandtl number
  • Saturation pressure (bar)
    4.8486e-6
  • Saturation temperature (°C)
    334.92
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    2.04279
  • Specific heat capacity (kJ/kg·K)
    0.589327
  • Surface tension
    0.0487063
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.0132658
  • Upper flammability limit
    0.0844187

Environmental Properties

  • Global warming potential
  • Ozone depletion potential