ChemSpider 2D Image | 4-(4-Butoxy-3,5-diiodobenzylidene)-2-methyl-1,3-oxazol-5(4H)-one | C15H15I2NO3

4-(4-Butoxy-3,5-diiodobenzylidene)-2-methyl-1,3-oxazol-5(4H)-one

  • Molecular FormulaC15H15I2NO3
  • Average mass511.093 Da
  • Monoisotopic mass510.914124 Da
  • ChemSpider ID3400383

More details:

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

4-(4-Butoxy-3,5-diiodbenzyliden)-2-methyl-1,3-oxazol-5(4H)-on [German] [ACD/IUPAC Name]
4-(4-Butoxy-3,5-diiodobenzylidene)-2-methyl-1,3-oxazol-5(4H)-one [ACD/IUPAC Name]
4-(4-Butoxy-3,5-diiodobenzylidène)-2-méthyl-1,3-oxazol-5(4H)-one [French] [ACD/IUPAC Name]
5(4H)-Oxazolone, 4-[(4-butoxy-3,5-diiodophenyl)methylene]-2-methyl- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 526.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.9±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2564.09
ACD/KOC (pH 5.5): 9587.59
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2564.11
ACD/KOC (pH 7.4): 9587.67
Polar Surface Area: 48 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 265.6±7.0 cm3

Click to predict properties on the Chemicalize site


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