ChemSpider 2D Image | 4-Ethoxy-1-phenyl-1,2-butanedione | C12H14O3

4-Ethoxy-1-phenyl-1,2-butanedione

  • Molecular FormulaC12H14O3
  • Average mass206.238 Da
  • Monoisotopic mass206.094299 Da
  • ChemSpider ID26286969

More details:






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

1,2-Butanedione, 4-ethoxy-1-phenyl- [ACD/Index Name]
4-Ethoxy-1-phenyl-1,2-butandion [German] [ACD/IUPAC Name]
4-Ethoxy-1-phenyl-1,2-butanedione [ACD/IUPAC Name]
4-Éthoxy-1-phényl-1,2-butanedione [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 301.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.1±3.0 kJ/mol
Flash Point: 129.7±23.2 °C
Index of Refraction: 1.506
Molar Refractivity: 56.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.72
ACD/KOC (pH 5.5): 261.29
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.72
ACD/KOC (pH 7.4): 261.29
Polar Surface Area: 43 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 190.5±3.0 cm3

Click to predict properties on the Chemicalize site






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