ChemSpider 2D Image | 2,4,6-Triiodo-1,3,5-benzenetricarboxylic acid | C9H3I3O6

2,4,6-Triiodo-1,3,5-benzenetricarboxylic acid

  • Molecular FormulaC9H3I3O6
  • Average mass587.830 Da
  • Monoisotopic mass587.706360 Da
  • ChemSpider ID117519

More details:






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

1,3,5-Benzenetricarboxylic acid, 2,4,6-triiodo- [ACD/Index Name]
2,4,6-Triiod-1,3,5-benzoltricarbonsäure [German] [ACD/IUPAC Name]
2,4,6-Triiodo-1,3,5-benzenetricarboxylic acid [ACD/IUPAC Name]
2,4,6-Triiodobenzene-1,3,5-tricarboxylic acid
279-112-9 [EINECS]
79211-41-9 [RN]
Acide 2,4,6-triiodo-1,3,5-benzènetricarboxylique [French] [ACD/IUPAC Name]
2,4,6-Triiodotrimesic acid
83616-10-8 [RN]
TRIIODOBENZENE-1,3,5-TRICARBOXYLIC ACID

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 3.0±0.1 g/cm3
Boiling Point: 569.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.3±30.1 °C
Index of Refraction: 1.842
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 106.3±3.0 dyne/cm
Molar Volume: 193.2±3.0 cm3

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