ChemSpider 2D Image | 2-[2,4,6-Triiodo-3-(2-oxo-1-pyrrolidinyl)benzyl]butanoate | C15H15I3NO3

2-[2,4,6-Triiodo-3-(2-oxo-1-pyrrolidinyl)benzyl]butanoate

  • Molecular FormulaC15H15I3NO3
  • Average mass637.998 Da
  • Monoisotopic mass637.819092 Da
  • ChemSpider ID95706674

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[2,4,6-Triiod-3-(2-oxo-1-pyrrolidinyl)benzyl]butanoat [German] [ACD/IUPAC Name]
2-[2,4,6-Triiodo-3-(2-oxo-1-pyrrolidinyl)benzyl]butanoate [ACD/IUPAC Name]
2-[2,4,6-Triiodo-3-(2-oxo-1-pyrrolidinyl)benzyl]butanoate [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-ethyl-2,4,6-triiodo-3-(2-oxo-1-pyrrolidinyl)-, ion(1-) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 675.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.4±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 103.18
ACD/KOC (pH 5.5): 495.66
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 7.80
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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