ChemSpider 2D Image | 2-Methyl-2-propanyl [3-(4-hydroxy-2-butyn-1-yl)-2,4,6-triiodophenyl]carbamate | C15H16I3NO3

2-Methyl-2-propanyl [3-(4-hydroxy-2-butyn-1-yl)-2,4,6-triiodophenyl]carbamate

  • Molecular FormulaC15H16I3NO3
  • Average mass639.006 Da
  • Monoisotopic mass638.826416 Da
  • ChemSpider ID98542377

More details:

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

[3-(4-Hydroxy-2-butyn-1-yl)-2,4,6-triiodophényl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [3-(4-hydroxy-2-butyn-1-yl)-2,4,6-triiodophenyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[3-(4-hydroxy-2-butin-1-yl)-2,4,6-triiodphenyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-(4-hydroxy-2-butyn-1-yl)-2,4,6-triiodophenyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 535.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 277.4±30.1 °C
Index of Refraction: 1.705
Molar Refractivity: 113.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1391.72
ACD/KOC (pH 5.5): 6190.90
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1391.57
ACD/KOC (pH 7.4): 6190.23
Polar Surface Area: 59 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 291.3±3.0 cm3

Click to predict properties on the Chemicalize site


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