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Properties of benzenepropanoic acid, β-(dimethylamino)-α-hydroxy-, (1S,2R,3E,5S,7S,8S,10R,13S)-2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.14,8]hexadeca-3,11-dien-5-yl ester, (αR,βS)-

Thermophysical properties for benzenepropanoic acid, β-(dimethylamino)-α-hydroxy-, (1S,2R,3E,5S,7S,8S,10R,13S)-2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.14,8]hexadeca-3,11-dien-5-yl ester, (αR,βS)- (CAS: 1361-49-5). 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: 47, N: 1, O: 10
  • CAS
    1361-49-5
  • Formula
    C35H47NO10
  • ID
    1361-49-5
  • InChI
    C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23-,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1
  • InChI Key
    KOTXAHKUCAQPQA-MCBQMXOVSA-N
  • IUPAC Name
    [(1r,2s,3e,5s,7s,8s,10r,13s)-2,13-diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (2r,3s)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
  • Molecular Weight (kg)
    641.748
  • Phase
    s
  • PubChem ID
    5.2818e+6
  • SMILES
    CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    8.70163
  • Critical temperature (°C)
    1913.24
  • Critical volume (m³/kmol)
    1.8135
  • Dipole moment
  • Melting temperature (°C)
    205
  • Normal boiling temperature (°C)
    1325.01

State-dependent Properties

  • API gravity
    -71.6785
  • Compressibility factor
    0.00991944
  • Density (kg/m³)
    2644.39
  • 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))
    806.58
  • Molar volume (m³/kmol)
    0.242683
  • Parachor
    1.0922e-4
  • Poynting correction factor
    1.01119
  • Prandtl number
  • Saturation pressure (bar)
    7.4247e-16
  • Saturation temperature (°C)
    1325.01
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    2.64699
  • Specific heat capacity (kJ/kg·K)
    1.25685
  • Surface tension
    0.024756
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00275372
  • Upper flammability limit
    0.0175237

Environmental Properties

  • Global warming potential
  • Ozone depletion potential