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Properties of n-[3-(3-Hydroxy-4-methoxyphenyl)propyl]-L-α-aspartyl-L-phenylalanine 2-methyl ester

Thermophysical properties for n-[3-(3-Hydroxy-4-methoxyphenyl)propyl]-L-α-aspartyl-L-phenylalanine 2-methyl ester (CAS: 245650-17-3). 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: 24, H: 30, N: 2, O: 7
  • CAS
    245650-17-3
  • Formula
    C24H30N2O7
  • ID
    245650-17-3
  • InChI
    C24H30N2O7/c1-32-21-11-10-17(14-20(21)27)9-6-12-25-18(15-22(28)29)23(30)26-19(24(31)33-2)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,14,18-19,25,27H,6,9,12-13,15H2,1-2H3,(H,26,30)(H,28,29)/t18-,19-/m0/s1
  • InChI Key
    YTKBWWKAVMSYHE-OALUTQOASA-N
  • IUPAC Name
    (3s)-3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-[[(2s)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
  • Molecular Weight (kg)
    458.504
  • Phase
    s
  • PubChem ID
    1.0389e+7
  • SMILES
    COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](CC(=O)O)NCCCc1ccc(OC)c(O)c1
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    14.4794
  • Critical temperature (°C)
    1379.56
  • Critical volume (m³/kmol)
    0
  • Dipole moment
  • Melting temperature (°C)
    101.5
  • Normal boiling temperature (°C)
    1058.71

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))
    552.207
  • Molar volume (m³/kmol)
    0
  • Parachor
  • Poynting correction factor
  • Prandtl number
  • Saturation pressure (bar)
    2.3869e-21
  • Saturation temperature (°C)
    1058.71
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
  • Specific heat capacity (kJ/kg·K)
    1.20437
  • Surface tension
    0.0639429
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00409592
  • Upper flammability limit
    0.0260649

Environmental Properties

  • Global warming potential
  • Ozone depletion potential

Failed Properties:

  • API gravityFailed