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Properties of fumitremorgin B

Thermophysical properties for fumitremorgin B (CAS: 12626-17-4). 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: 27, H: 33, N: 3, O: 5
  • CAS
    12626-17-4
  • Formula
    C27H33N3O5
  • ID
    12626-17-4
  • InChI
    C27H33N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,24,31,34H,6-7,11-12H2,1-5H3/t19-,21-,24-,27+/m0/s1
  • InChI Key
    WEIYXEFMCIRZHC-MWGWWEMPSA-N
  • IUPAC Name
    (1r,2s,12s,15s)-1,2-dihydroxy-7-methoxy-10-(3-methylbut-2-enyl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
  • Molecular Weight (kg)
    479.568
  • Phase
    s
  • PubChem ID
    1.0511e+5
  • SMILES
    COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    14.5902
  • Critical temperature (°C)
    1304.03
  • Critical volume (m³/kmol)
    1.3455
  • Dipole moment
  • Melting temperature (°C)
    206
  • Normal boiling temperature (°C)
    1000.72

State-dependent Properties

  • API gravity
    -30.6473
  • Compressibility factor
    0.0126842
  • Density (kg/m³)
    1545.38
  • 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))
    592.365
  • Molar volume (m³/kmol)
    0.310324
  • Parachor
    1.7477e-4
  • Poynting correction factor
    1.01413
  • Prandtl number
  • Saturation pressure (bar)
    1.9694e-20
  • Saturation temperature (°C)
    1000.72
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.5469
  • Specific heat capacity (kJ/kg·K)
    1.23521
  • Surface tension
    0.0635011
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00350564
  • Upper flammability limit
    0.0223086

Environmental Properties

  • Global warming potential
  • Ozone depletion potential