ChemSpider 2D Image | 3-(2,2,4,4-~2~H_4_)Hexanone | C6H8D4O

3-(2,2,4,4-2H4)Hexanone

  • Molecular FormulaC6H8D4O
  • Average mass104.184 Da
  • Monoisotopic mass104.113922 Da
  • ChemSpider ID107439623

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(2,2,4,4-2H4)Hexanon [German] [ACD/IUPAC Name]
3-(2,2,4,4-2H4)Hexanone [ACD/IUPAC Name]
3-(2,2,4,4-2H4)Hexanone [French] [ACD/IUPAC Name]
3-Hexanone-2,2,4,4-d4 [ACD/Index Name]
24588-54-3 [RN]
3-Hexanone-2,2,4,4-d4

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

Density: 0.8±0.1 g/cm3
Boiling Point: 125.5±3.0 °C at 760 mmHg
Vapour Pressure: 12.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.4±0.0 kJ/mol
Flash Point: 35.0±0.0 °C
Index of Refraction: 1.395
Molar Refractivity: 29.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.34
ACD/KOC (pH 5.5): 130.54
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.34
ACD/KOC (pH 7.4): 130.54
Polar Surface Area: 17 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 24.0±3.0 dyne/cm
Molar Volume: 124.7±3.0 cm3

Click to predict properties on the Chemicalize site


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