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Properties of benzoic acid, 4-heptyl-, 4-cyano-3-fluorophenyl ester

Thermophysical properties for benzoic acid, 4-heptyl-, 4-cyano-3-fluorophenyl ester (CAS: 86776-54-7). 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: 21, F: 1, H: 22, N: 1, O: 2
  • CAS
    86776-54-7
  • Formula
    C21H22FNO2
  • ID
    86776-54-7
  • InChI
    C21H22FNO2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)21(24)25-19-13-12-18(15-23)20(22)14-19/h8-14H,2-7H2,1H3
  • InChI Key
    BJTUQNRKEMWBHS-UHFFFAOYSA-N
  • IUPAC Name
    (4-cyano-3-fluorophenyl) 4-heptylbenzoate
  • Molecular Weight (kg)
    339.403
  • Phase
    s
  • PubChem ID
    1.4994e+7
  • SMILES
    CCCCCCCc1ccc(C(=O)Oc2ccc(C#N)c(F)c2)cc1
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    13.9022
  • Critical temperature (°C)
    857.481
  • Critical volume (m³/kmol)
    1.0655
  • Dipole moment
  • Melting temperature (°C)
    26.85
  • Normal boiling temperature (°C)
    634.8

State-dependent Properties

  • API gravity
    -10.5636
  • Compressibility factor
    0.0106461
  • Density (kg/m³)
    1303.09
  • 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))
    411.343
  • Molar volume (m³/kmol)
    0.26046
  • Parachor
    1.3695e-4
  • Poynting correction factor
    1.01199
  • Prandtl number
  • Saturation pressure (bar)
    1.5654e-12
  • Saturation temperature (°C)
    634.8
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.30437
  • Specific heat capacity (kJ/kg·K)
    1.21196
  • Surface tension
    0.0463089
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.0044942
  • Upper flammability limit
    0.0285994

Environmental Properties

  • Global warming potential
  • Ozone depletion potential