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Properties of oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, inner salt, (19α,20α)-

Thermophysical properties for oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, inner salt, (19α,20α)- (CAS: 642-18-2). 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, H: 20, N: 2, O: 3
  • CAS
    642-18-2
  • Formula
    C21H20N2O3
  • ID
    642-18-2
  • InChI
    C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16-/m0/s1
  • InChI Key
    WYTGDNHDOZPMIW-RCBQFDQVSA-N
  • IUPAC Name
    methyl (15s,16s,20s)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
  • Molecular Weight (kg)
    348.395
  • Phase
    s
  • PubChem ID
    4.4198e+5
  • SMILES
    COC(=O)C1=CO[C@@H](C)[C@@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]12
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    20.0012
  • Critical temperature (°C)
    894.829
  • Critical volume (m³/kmol)
    0.9745
  • Dipole moment
  • Melting temperature (°C)
    387.21
  • Normal boiling temperature (°C)
    646.63

State-dependent Properties

  • API gravity
    -18.3164
  • Compressibility factor
    0.0112279
  • Density (kg/m³)
    1268.3
  • 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))
    406.232
  • Molar volume (m³/kmol)
    0.274695
  • Parachor
    1.4185e-4
  • Poynting correction factor
    1.01151
  • Prandtl number
  • Saturation pressure (bar)
    1.9797e-13
  • Saturation temperature (°C)
    646.63
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.26954
  • Specific heat capacity (kJ/kg·K)
    1.16601
  • Surface tension
    0.0629237
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00467608
  • Upper flammability limit
    0.0297568

Environmental Properties

  • Global warming potential
  • Ozone depletion potential