Properties of (6R,7R)-3-Methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Identification

• Atoms
  C: 16, H: 16, N: 2, O: 4, S: 1
• CAS
  27255-72-7
• Formula
  C16H16N2O4S
• ID
  27255-72-7
• InChI
  C16H16N2O4S/c1-9-8-23-15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)/t12-,15-/m1/s1
• InChI Key
  CIPQGGYPCPIDBB-IUODEOHRSA-N
• IUPAC Name
  (6r,7r)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• Molecular Weight (kg)
  332.374
• Phase
  s
• PubChem ID
  1.6867e+5
• SMILES
  CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3ccccc3)[C@H]2SC1
• SynonymsView 33 Synonyms

Physical Properties

• Acentric factor
• Critical pressure (bar)
  24.4106
• Critical temperature (°C)
  1040.6
• Critical volume (m³/kmol)
  0
• Dipole moment
• Melting temperature (°C)
  200
• Normal boiling temperature (°C)
  788.42

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))
  351.454
• Molar volume (m³/kmol)
  0
• Parachor
• Poynting correction factor
• Prandtl number
• Saturation pressure (bar)
  3.7391e-19
• Saturation temperature (°C)
  788.42
• Solubility parameter
• Specific enthalpy (kJ)
  0
• Specific entropy (kJ/kg·K)
  0
• Specific gravity
• Specific heat capacity (kJ/kg·K)
  1.05741
• Surface tension
  0.0970634
• Thermal conductivity
• Thermal diffusivity

Safety Properties

• Autoignition temperature (°C)
  -273.15
• Flash point temperature (°C)
  -273.15
• Lower flammability limit
  0.00634518
• Upper flammability limit
  0.0403784

Environmental Properties

• Global warming potential
• Ozone depletion potential

Failed Properties:

• API gravityFailed