Properties of n-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-tyrosine

Thermophysical properties for n-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-tyrosine (CAS: 2130-96-3). 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: 21, H: 25, N: 1, O: 5
  • CAS
    2130-96-3
  • Formula
    C21H25NO5
  • ID
    2130-96-3
  • InChI
    C21H25NO5/c1-21(2,3)27-20(25)22-18(19(23)24)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1
  • InChI Key
    ZAVSPTOJKOFMTA-SFHVURJKSA-N
  • IUPAC Name
    (2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
  • Molecular Weight (kg)
    371.427
  • Phase
    s
  • PubChem ID
    9.8763e+4
  • SMILES
    CC(C)(C)OC(O)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    15.8349
  • Critical temperature (°C)
    1068.46
  • Critical volume (m³/kmol)
    0
  • Dipole moment
  • Melting temperature (°C)
    108.5
  • Normal boiling temperature (°C)
    820.69

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))
    454.131
  • Molar volume (m³/kmol)
    0
  • Parachor
  • Poynting correction factor
  • Prandtl number
  • Saturation pressure (bar)
    5.6674e-18
  • Saturation temperature (°C)
    820.69
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
  • Specific heat capacity (kJ/kg·K)
    1.22267
  • Surface tension
    0.0660953
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00462924
  • Upper flammability limit
    0.0294588

Environmental Properties

  • Global warming potential
  • Ozone depletion potential

Failed Properties:

  • API gravityFailed