ChemSpider 2D Image | (5,5,6,6-~2~H_4_)-1-Octen-3-one | C8H10D4O

(5,5,6,6-2H4)-1-Octen-3-one

  • Molecular FormulaC8H10D4O
  • Average mass130.221 Da
  • Monoisotopic mass130.129578 Da
  • ChemSpider ID48060752

  • Non-standard isotope - Non-standard isotope

More details:

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

(5,5,6,6-2H4)-1-Octen-3-on [German] [ACD/IUPAC Name]
(5,5,6,6-2H4)-1-Octen-3-one [ACD/IUPAC Name]
(5,5,6,6-2H4)-1-Octén-3-one [French] [ACD/IUPAC Name]
1-Octen-3-one-5,5,6,6-d4 [ACD/Index Name]
213828-60-5 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 177.0±9.0 °C at 760 mmHg
Vapour Pressure: 1.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.3±3.0 kJ/mol
Flash Point: 58.5±11.9 °C
Index of Refraction: 1.422
Molar Refractivity: 38.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.42
ACD/KOC (pH 5.5): 963.09
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.42
ACD/KOC (pH 7.4): 963.09
Polar Surface Area: 17 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 25.8±3.0 dyne/cm
Molar Volume: 152.8±3.0 cm3

Click to predict properties on the Chemicalize site


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