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Properties of ergocristinine

Thermophysical properties for ergocristinine (CAS: 511-07-9). 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: 35, H: 39, N: 5, O: 5
  • CAS
    511-07-9
  • Formula
    C35H39N5O5
  • ID
    511-07-9
  • InChI
    C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27+,28-,29-,34+,35-/m0/s1
  • InChI Key
    HEFIYUQVAZFDEE-NASJTFDLSA-N
  • IUPAC Name
    (6ar,9s)-n-[(1s,2s,4r,7s)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4h-indolo[4,3-fg]quinoline-9-carboxamide
  • Molecular Weight (kg)
    609.715
  • Phase
    s
  • PubChem ID
    7.0675e+6
  • SMILES
    CC(C)[C@@]1(N=C(O)[C@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    12.4246
  • Critical temperature (°C)
    1805.54
  • Critical volume (m³/kmol)
    0
  • Dipole moment
  • Melting temperature (°C)
    214
  • Normal boiling temperature (°C)
    1352.98

State-dependent Properties

  • Compressibility factor
  • Density (kg/m³)
  • 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))
    735.898
  • Molar volume (m³/kmol)
    0
  • Parachor
  • Poynting correction factor
  • Prandtl number
  • Saturation pressure (bar)
    5.4404e-23
  • Saturation temperature (°C)
    1352.98
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
  • Specific heat capacity (kJ/kg·K)
    1.20695
  • Surface tension
    0.0519992
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00272129
  • Upper flammability limit
    0.0173173

Environmental Properties

  • Global warming potential
  • Ozone depletion potential

Failed Properties:

  • API gravityFailed