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Properties of isophorone diisocyanate

Thermophysical properties for isophorone diisocyanate (CAS: 4098-71-9). 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: 12, H: 18, N: 2, O: 2
  • CAS
    4098-71-9
  • Formula
    C12H18N2O2
  • ID
    4098-71-9
  • InChI
    C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3
  • InChI Key
    NIMLQBUJDJZYEJ-UHFFFAOYSA-N
  • IUPAC Name
    5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
  • Molecular Weight (kg)
    222.284
  • Phase
    l
  • PubChem ID
    1.6913e+5
  • SMILES
    CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
  • Synonyms

Physical Properties

  • Acentric factor
    0.666
  • Critical pressure (bar)
    25.2
  • Critical temperature (°C)
    491.85
  • Critical volume (m³/kmol)
    0.667
  • Dipole moment
  • Melting temperature (°C)
    -60
  • Normal boiling temperature (°C)
    345.04

State-dependent Properties

  • API gravity
    0.632334
  • Compressibility factor
    0.00853082
  • Density (kg/m³)
    1065.04
  • Dynamic viscosity (cP)
    0.834621
  • Enthalpy of vaporization (mass) (kJ)
    370.037
  • Enthalpy of vaporization (molar) (kJ/kmol)
    8.2253e+4
  • Gibbs free energy (kJ/kmol)
    0
  • Joule–Thomson coefficient
    -4.7160e-7
  • Kinematic viscosity
    7.8366e-7
  • Molar enthalpy (kJ/kmol)
    0
  • Molar entropy (kJ/(kmol·K))
    0
  • Molar heat capacity (kJ/(kmol·K))
    378.653
  • Molar volume (m³/kmol)
    0.20871
  • Parachor
    9.2623e-5
  • Poynting correction factor
    1.00857
  • Prandtl number
    9.46445
  • Saturation pressure (bar)
    1.2703e-6
  • Saturation temperature (°C)
    288.406
  • Solubility parameter
    1.9551e+4
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.06608
  • Specific heat capacity (kJ/kg·K)
    1.70347
  • Surface tension
    0.037481
  • Thermal conductivity
    0.15022
  • Thermal diffusivity
    8.2800e-8

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    155
  • Lower flammability limit
    0.00735491
  • Upper flammability limit
    0.046804

Environmental Properties

  • Global warming potential
  • Ozone depletion potential