Properties of phenyl isocyanate

Thermophysical properties for phenyl isocyanate (CAS: 103-71-9). 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: 7, H: 5, N: 1, O: 1
  • CAS
    103-71-9
  • Formula
    C7H5NO
  • ID
    103-71-9
  • InChI
    C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
  • InChI Key
    DGTNSSLYPYDJGL-UHFFFAOYSA-N
  • IUPAC Name
    isocyanatobenzene
  • Molecular Weight (kg)
    119.121
  • Phase
    l
  • PubChem ID
    7672
  • SMILES
    C1=CC=C(C=C1)N=C=O
  • Synonyms

Physical Properties

  • Acentric factor
    0.2946
  • Critical pressure (bar)
    40
  • Critical temperature (°C)
    383.85
  • Critical volume (m³/kmol)
    0.342
  • Dipole moment
  • Melting temperature (°C)
    -33
  • Normal boiling temperature (°C)
    166.3

State-dependent Properties

  • API gravity
    -3.2018
  • Compressibility factor
    0.00445985
  • Density (kg/m³)
    1091.73
  • Dynamic viscosity (cP)
    0.897714
  • Enthalpy of vaporization (mass) (kJ)
    389.071
  • Enthalpy of vaporization (molar) (kJ/kmol)
    4.6346e+4
  • Gibbs free energy (kJ/kmol)
    0
  • Joule–Thomson coefficient
    -4.2374e-7
  • Kinematic viscosity
    8.2229e-7
  • Molar enthalpy (kJ/kmol)
    0
  • Molar entropy (kJ/(kmol·K))
    0
  • Molar heat capacity (kJ/(kmol·K))
    182.047
  • Molar volume (m³/kmol)
    0.109112
  • Parachor
    4.7241e-5
  • Poynting correction factor
    1.00445
  • Prandtl number
    12.6934
  • Saturation pressure (bar)
    0.00347629
  • Saturation temperature (°C)
    166.109
  • Solubility parameter
    2.0051e+4
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.0928
  • Specific heat capacity (kJ/kg·K)
    1.52826
  • Surface tension
    0.0345166
  • Thermal conductivity
    0.108083
  • Thermal diffusivity
    6.4781e-8

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    51
  • Lower flammability limit
    0.0148607
  • Upper flammability limit
    0.0859952

Environmental Properties

  • Global warming potential
  • Ozone depletion potential