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Properties of 1,3,5-trinitrobenzene

Thermophysical properties for 1,3,5-trinitrobenzene (CAS: 99-35-4). 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

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Identification

  • Atoms
    C: 6, H: 3, N: 3, O: 6
  • CAS
    99-35-4
  • Formula
    C6H3N3O6
  • ID
    99-35-4
  • InChI
    C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
  • InChI Key
    UATJOMSPNYCXIX-UHFFFAOYSA-N
  • IUPAC Name
    1,3,5-trinitrobenzene
  • Molecular Weight (kg)
    213.105
  • Phase
    s
  • PubChem ID
    7434
  • SMILES
    C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
  • Synonyms

Physical Properties

  • Acentric factor
    0.862
  • Critical pressure (bar)
    33.9
  • Critical temperature (°C)
    572.85
  • Critical volume (m³/kmol)
    0.479
  • Dipole moment
  • Melting temperature (°C)
    121.5
  • Normal boiling temperature (°C)
    315

State-dependent Properties

  • API gravity
    -37.8427
  • Compressibility factor
    0.0049789
  • Density (kg/m³)
    1749.47
  • Dynamic viscosity (cP)
    0
  • Enthalpy of vaporization (mass) (kJ)
    425.161
  • Enthalpy of vaporization (molar) (kJ/kmol)
    9.0604e+4
  • 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))
    214.6
  • Molar volume (m³/kmol)
    0.121811
  • Parachor
    7.0793e-5
  • Poynting correction factor
    1.00579
  • Prandtl number
  • Saturation pressure (bar)
    1.0703e-9
  • Saturation temperature (°C)
    356.751
  • Solubility parameter
    2.4983e+4
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.75119
  • Specific heat capacity (kJ/kg·K)
    1.00702
  • Surface tension
    0.0617569
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.0188388
  • Upper flammability limit
    0.104547

Environmental Properties

  • Global warming potential
  • Ozone depletion potential