Properties of ochratoxin C

Identification

• Atoms
  C: 22, Cl: 1, H: 22, N: 1, O: 6
• CAS
  4865-85-4
• Formula
  C22H22ClNO6
• ID
  4865-85-4
• InChI
  C22H22ClNO6/c1-3-29-21(27)17(10-13-7-5-4-6-8-13)24-20(26)15-11-16(23)14-9-12(2)30-22(28)18(14)19(15)25/h4-8,11-12,17,25H,3,9-10H2,1-2H3,(H,24,26)/t12-,17+/m1/s1
• InChI Key
  BPZZWRPHVVDAPT-PXAZEXFGSA-N
• IUPAC Name
  ethyl (2s)-2-[[(3r)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate
• Molecular Weight (kg)
  431.866
• Phase
  l
• PubChem ID
  2.0997e+4
• SMILES
  CCOC(=O)[C@H](Cc1ccccc1)N=C(O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2
• SynonymsView 41 Synonyms

Physical Properties

• Acentric factor
• Critical pressure (bar)
  16.1807
• Critical temperature (°C)
  1167.24
• Critical volume (m³/kmol)
  0
• Dipole moment
• Melting temperature (°C)
  -273.15
• Normal boiling temperature (°C)
  903.37

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))
  617.681
• Molar volume (m³/kmol)
  0
• Parachor
• Poynting correction factor
• Prandtl number
• Saturation pressure (bar)
  4.5185e-20
• Saturation temperature (°C)
  903.37
• Solubility parameter
• Specific enthalpy (kJ)
  0
• Specific entropy (kJ/kg·K)
  0
• Specific gravity
• Specific heat capacity (kJ/kg·K)
  1.43026
• Surface tension
  0.0717233
• Thermal conductivity
  0.111073
• Thermal diffusivity

Safety Properties

• Autoignition temperature (°C)
  -273.15
• Flash point temperature (°C)
  -273.15
• Lower flammability limit
  0.00467608
• Upper flammability limit
  0.0297568

Environmental Properties

• Global warming potential
• Ozone depletion potential

Failed Properties:

• API gravityFailed