ChemSpider 2D Image | 3-Pentanone-1,1,1,3,3,3-d6 | C5H4D6O

3-Pentanone-1,1,1,3,3,3-d6

  • Molecular FormulaC5H4D6O
  • Average mass92.169 Da
  • Monoisotopic mass92.110825 Da
  • ChemSpider ID24533102

  • Non-standard isotope - Non-standard isotope

More details:

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

(1,1,1,5,5,5-2H6)Pentan-3-one
3-(1,1,1,5,5,5-2H6)Pentanon [German] [ACD/IUPAC Name]
3-(1,1,1,5,5,5-2H6)Pentanone [ACD/IUPAC Name]
3-(1,1,1,5,5,5-2H6)Pentanone [French] [ACD/IUPAC Name]
3-Pentanone-1,1,1,3,3,3-d6
3-Pentanone-1,1,1,5,5,5-d6 [ACD/Index Name]
3-Pentanone-1,1,1,5,5,5-d6
53389-25-6 [RN]
1,1,1,5,5,5-hexadeuteriopentan-3-one
Diethyl ketone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.8±0.1 g/cm3
Boiling Point: 101.0±3.0 °C at 760 mmHg
Vapour Pressure: 35.8±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.0±3.0 kJ/mol
Flash Point: 12.8±0.0 °C
Index of Refraction: 1.383
Molar Refractivity: 25.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 69.24
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.61
ACD/KOC (pH 7.4): 69.24
Polar Surface Area: 17 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 22.7±3.0 dyne/cm
Molar Volume: 108.2±3.0 cm3

Click to predict properties on the Chemicalize site


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