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Properties of 1-(5-O-Benzoyl-β-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide

Thermophysical properties for 1-(5-O-Benzoyl-β-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide (CAS: 58151-90-9). 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: 15, H: 16, N: 4, O: 6
  • CAS
    58151-90-9
  • Formula
    C15H16N4O6
  • ID
    58151-90-9
  • InChI
    C15H16N4O6/c16-12(22)13-17-7-19(18-13)14-11(21)10(20)9(25-14)6-24-15(23)8-4-2-1-3-5-8/h1-5,7,9-11,14,20-21H,6H2,(H2,16,22)/t9-,10-,11-,14-/m1/s1
  • InChI Key
    DFCVOGPUXOBQKK-ZHSDAYTOSA-N
  • IUPAC Name
    [(2r,3s,4r,5r)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl benzoate
  • Molecular Weight (kg)
    348.311
  • Phase
    s
  • PubChem ID
    2.2793e+7
  • SMILES
    NC(=O)c1ncn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H]2O)n1
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    34.5614
  • Critical temperature (°C)
    1082.29
  • Critical volume (m³/kmol)
    0.8635
  • Dipole moment
  • Melting temperature (°C)
    183
  • Normal boiling temperature (°C)
    832.35

State-dependent Properties

  • API gravity
    -28.1662
  • Compressibility factor
    0.00936063
  • Density (kg/m³)
    1520.93
  • 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))
    369.29
  • Molar volume (m³/kmol)
    0.229012
  • Parachor
    1.6007e-4
  • Poynting correction factor
    1.01049
  • Prandtl number
  • Saturation pressure (bar)
    3.1304e-23
  • Saturation temperature (°C)
    832.351
  • Solubility parameter
  • Specific enthalpy (kJ)
    0
  • Specific entropy (kJ/kg·K)
    0
  • Specific gravity
    1.52243
  • Specific heat capacity (kJ/kg·K)
    1.06023
  • Surface tension
    0.148018
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00712805
  • Upper flammability limit
    0.0453603

Environmental Properties

  • Global warming potential
  • Ozone depletion potential