ChemSpider 2D Image | 2-[3-(Butyrylamino)-2,4,6-triiodobenzyl]butanoate | C15H17I3NO3

2-[3-(Butyrylamino)-2,4,6-triiodobenzyl]butanoate

  • Molecular FormulaC15H17I3NO3
  • Average mass640.014 Da
  • Monoisotopic mass639.834778 Da
  • ChemSpider ID95583954

  • Charge - Charge

More details:

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

2-[3-(Butyrylamino)-2,4,6-triiodbenzyl]butanoat [German] [ACD/IUPAC Name]
2-[3-(Butyrylamino)-2,4,6-triiodobenzyl]butanoate [ACD/IUPAC Name]
2-[3-(Butyrylamino)-2,4,6-triiodobenzyl]butanoate [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-ethyl-2,4,6-triiodo-3-[(1-oxobutyl)amino]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 608.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 321.9±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 105.05
ACD/KOC (pH 5.5): 501.30
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 7.89
Polar Surface Area: 69 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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