Properties of butyl isocyanate

Thermophysical properties for butyl isocyanate (CAS: 111-36-4). 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

Need properties at a different state? Use our interactive calculator.

Open Calculator

Identification

  • Atoms
    C: 5, H: 9, N: 1, O: 1
  • CAS
    111-36-4
  • Formula
    C5H9NO
  • ID
    111-36-4
  • InChI
    C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3
  • InChI Key
    HNHVTXYLRVGMHD-UHFFFAOYSA-N
  • IUPAC Name
    1-isocyanatobutane
  • Molecular Weight (kg)
    99.1311
  • Phase
    l
  • PubChem ID
    8110
  • SMILES
    CCCCN=C=O
  • Synonyms

Physical Properties

  • Acentric factor
    0.415
  • Critical pressure (bar)
    34.4
  • Critical temperature (°C)
    294.85
  • Critical volume (m³/kmol)
    0.36
  • Dipole moment
  • Melting temperature (°C)
    -75
  • Normal boiling temperature (°C)
    125

State-dependent Properties

  • API gravity
    41.582
  • Compressibility factor
    0.00500729
  • Density (kg/m³)
    809.197
  • Dynamic viscosity (cP)
    0.394575
  • Enthalpy of vaporization (mass) (kJ)
    416.491
  • Enthalpy of vaporization (molar) (kJ/kmol)
    4.1287e+4
  • Gibbs free energy (kJ/kmol)
    0
  • Joule–Thomson coefficient
    -4.9114e-7
  • Kinematic viscosity
    4.8761e-7
  • Molar enthalpy (kJ/kmol)
    0
  • Molar entropy (kJ/(kmol·K))
    0
  • Molar heat capacity (kJ/(kmol·K))
    175.111
  • Molar volume (m³/kmol)
    0.122505
  • Parachor
    4.9710e-5
  • Poynting correction factor
    1.00489
  • Prandtl number
    5.34518
  • Saturation pressure (bar)
    0.0267206
  • Saturation temperature (°C)
    115.562
  • Solubility parameter
    1.7799e+4
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    0.809993
  • Specific heat capacity (kJ/kg·K)
    1.76646
  • Surface tension
    0.0265734
  • Thermal conductivity
    0.130398
  • Thermal diffusivity
    9.1225e-8

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    22.5
  • Lower flammability limit
    0.0166013
  • Upper flammability limit
    0.105644

Environmental Properties

  • Global warming potential
  • Ozone depletion potential