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Search term: STMIUHPXRYKWPU-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2,4,6-Triiodo-5-(octanoylamino)isophthalic acid | C16H18I3NO5

2,4,6-Triiodo-5-(octanoylamino)isophthalic acid

  • Molecular FormulaC16H18I3NO5
  • Average mass685.031 Da
  • Monoisotopic mass684.831848 Da
  • ChemSpider ID59052063

More details:

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

1,3-Benzenedicarboxylic acid, 2,4,6-triiodo-5-[(1-oxooctyl)amino]- [ACD/Index Name]
2,4,6-Triiod-5-(octanoylamino)isophthalsäure [German] [ACD/IUPAC Name]
2,4,6-Triiodo-5-(octanoylamino)isophthalic acid [ACD/IUPAC Name]
Acide 2,4,6-triiodo-5-(octanoylamino)isophtalique [French] [ACD/IUPAC Name]
2,4,6-Tris(Iodanyl)-5-(Octanoylamino)benzene-1,3-Dicarboxylic Acid
4QL

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

Density: 2.2±0.1 g/cm3
Boiling Point: 626.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 332.9±31.5 °C
Index of Refraction: 1.700
Molar Refractivity: 120.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 312.8±3.0 cm3

Click to predict properties on the Chemicalize site


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