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Properties of vellosimine

Thermophysical properties for vellosimine (CAS: 6874-98-2). 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: 19, H: 20, N: 2, O: 1
  • CAS
    6874-98-2
  • Formula
    C19H20N2O
  • ID
    6874-98-2
  • InChI
    C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15+,17-,18-/m0/s1
  • InChI Key
    MHASSCPGKAMILD-VICVVEARSA-N
  • IUPAC Name
    (1s,12s,13r,14r,15e)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carbaldehyde
  • Molecular Weight (kg)
    292.375
  • Phase
    s
  • PubChem ID
    1.1266e+7
  • SMILES
    C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](C=O)[C@@H]2Cc1c3[nH]c2ccccc12
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    22.6973
  • Critical temperature (°C)
    777.35
  • Critical volume (m³/kmol)
    0.8685
  • Dipole moment
  • Melting temperature (°C)
    305.5
  • Normal boiling temperature (°C)
    540.93

State-dependent Properties

  • API gravity
    -10.4154
  • Compressibility factor
    0.0098781
  • Density (kg/m³)
    1209.8
  • 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))
    364.915
  • Molar volume (m³/kmol)
    0.241672
  • Parachor
    1.2612e-4
  • Poynting correction factor
    1.01033
  • Prandtl number
  • Saturation pressure (bar)
    4.2037e-11
  • Saturation temperature (°C)
    540.93
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.21099
  • Specific heat capacity (kJ/kg·K)
    1.24811
  • Surface tension
    0.0607476
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00487329
  • Upper flammability limit
    0.0310119

Environmental Properties

  • Global warming potential
  • Ozone depletion potential