ChemSpider 2D Image | 3-(~2~H_3_)Methyl-2-(4,4,4-~2~H_3_)butanone | C5H4D6O

3-(2H3)Methyl-2-(4,4,4-2H3)butanone

  • Molecular FormulaC5H4D6O
  • Average mass92.169 Da
  • Monoisotopic mass92.110825 Da
  • ChemSpider ID128942823

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Butanone-4,4,4-d3, 3-(methyl-d3)- [ACD/Index Name]
3-(2H3)Methyl-2-(4,4,4-2H3)butanon [German] [ACD/IUPAC Name]
3-(2H3)Methyl-2-(4,4,4-2H3)butanone [ACD/IUPAC Name]
3-(2H3)Méthyl-2-(4,4,4-2H3)butanone [French] [ACD/IUPAC Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 78.3±3.0 °C at 760 mmHg
Vapour Pressure: 93.3±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.9±3.0 kJ/mol
Flash Point: 6.1±0.0 °C
Index of Refraction: 1.381
Molar Refractivity: 25.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 64.84
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 64.84
Polar Surface Area: 17 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 21.4±3.0 dyne/cm
Molar Volume: 108.6±3.0 cm3

Click to predict properties on the Chemicalize site


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