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Properties of (4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,22,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol

Thermophysical properties for (4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,22,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol (CAS: 548-40-3). 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: 37, H: 40, N: 2, O: 6
  • CAS
    548-40-3
  • Formula
    C37H40N2O6
  • ID
    548-40-3
  • InChI
    C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
  • InChI Key
    HGNHIFJNOKGSKI-WDYNHAJCSA-N
  • IUPAC Name
    (1r,14s)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
  • Molecular Weight (kg)
    608.723
  • Phase
    s
  • PubChem ID
    4.4233e+5
  • SMILES
    COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2)N(C)CC4
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    10.7006
  • Critical temperature (°C)
    1521.28
  • Critical volume (m³/kmol)
    1.6375
  • Dipole moment
  • Melting temperature (°C)
    216.5
  • Normal boiling temperature (°C)
    1180.37

State-dependent Properties

  • API gravity
    -53.686
  • Compressibility factor
    0.0124068
  • Density (kg/m³)
    2005.42
  • 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))
    742.709
  • Molar volume (m³/kmol)
    0.303538
  • Parachor
    1.6057e-4
  • Poynting correction factor
    1.01383
  • Prandtl number
  • Saturation pressure (bar)
    1.3343e-21
  • Saturation temperature (°C)
    1180.37
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    2.0074
  • Specific heat capacity (kJ/kg·K)
    1.22011
  • Surface tension
    0.0492687
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00261357
  • Upper flammability limit
    0.0166318

Environmental Properties

  • Global warming potential
  • Ozone depletion potential