ChemSpider 2D Image | (3R)-3-(2,4,6-Triiodophenoxy)butanoic acid | C10H9I3O3

(3R)-3-(2,4,6-Triiodophenoxy)butanoic acid

  • Molecular FormulaC10H9I3O3
  • Average mass557.890 Da
  • Monoisotopic mass557.768555 Da
  • ChemSpider ID52772558

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(2,4,6-Triiodophenoxy)butanoic acid [ACD/IUPAC Name]
(3R)-3-(2,4,6-Triiodphenoxy)butansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-(2,4,6-triiodophénoxy)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-(2,4,6-triiodophenoxy)-, (3R)- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 513.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 264.1±30.1 °C
Index of Refraction: 1.704
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 29.59
ACD/KOC (pH 5.5): 147.43
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.73
Polar Surface Area: 47 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 224.2±3.0 cm3

Click to predict properties on the Chemicalize site


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