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Properties of xylenol Orange

Thermophysical properties for xylenol Orange (CAS: 1611-35-4). 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: 31, H: 32, N: 2, O: 13, S: 1
  • CAS
    1611-35-4
  • Formula
    C31H32N2O13S
  • ID
    1611-35-4
  • InChI
    C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)
  • InChI Key
    ORZHVTYKPFFVMG-UHFFFAOYSA-N
  • IUPAC Name
    2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
  • Molecular Weight (kg)
    672.656
  • Phase
  • PubChem ID
    7.3041e+4
  • SMILES
    Cc1cc(C2(c3cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c3)OS(=O)(=O)c3ccccc32)cc(CN(CC(=O)O)CC(=O)O)c1O
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    0
  • Critical temperature (°C)
    -273.15
  • Critical volume (m³/kmol)
    0
  • Dipole moment
  • Melting temperature (°C)
    -273.15
  • Normal boiling temperature (°C)
    -273.15

State-dependent Properties

  • Compressibility factor
  • Density (kg/m³)
  • Dynamic viscosity (cP)
    0
  • Enthalpy of vaporization (mass) (kJ)
    0
  • Enthalpy of vaporization (molar) (kJ/kmol)
  • Joule–Thomson coefficient
  • Kinematic viscosity
  • Molar enthalpy (kJ/kmol)
  • Molar heat capacity (kJ/(kmol·K))
  • Molar volume (m³/kmol)
    0
  • Parachor
  • Poynting correction factor
  • Prandtl number
  • Saturation pressure (bar)
    0
  • Solubility parameter
  • Specific gravity
  • Specific heat capacity (kJ/kg·K)
    0
  • Surface tension
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00353243
  • Upper flammability limit
    0.0224791

Environmental Properties

  • Global warming potential
  • Ozone depletion potential

Failed Properties:

  • API gravityFailed
  • Gibbs free energy (kJ/kmol)Failed
  • Molar entropy (kJ/(kmol·K))Failed
  • Saturation temperature (°C)Failed
  • Specific enthalpy (kJ)Failed
  • Specific entropy (kJ/kg·K)Failed