ChemSpider 2D Image | 1-Phenyl-1-(3,3,4,4,4-~2~H_5_)butanone | C10H7D5O

1-Phenyl-1-(3,3,4,4,4-2H5)butanone

  • Molecular FormulaC10H7D5O
  • Average mass153.232 Da
  • Monoisotopic mass153.120193 Da
  • ChemSpider ID60597062

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Butanone-3,3,4,4,4-d5, 1-phenyl- [ACD/Index Name]
1-Phenyl-1-(3,3,4,4,4-2H5)butanon [German] [ACD/IUPAC Name]
1-Phenyl-1-(3,3,4,4,4-2H5)butanone [ACD/IUPAC Name]
1-Phényl-1-(3,3,4,4,4-2H5)butanone [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 228.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 88.9±0.0 °C
Index of Refraction: 1.503
Molar Refractivity: 45.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.74
ACD/KOC (pH 5.5): 842.14
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.74
ACD/KOC (pH 7.4): 842.14
Polar Surface Area: 17 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 154.0±3.0 cm3

Click to predict properties on the Chemicalize site


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