ChemSpider 2D Image | 6-Methyl(1,1,1,3,3-~2~H_5_)-5-hepten-2-one | C8H9D5O

6-Methyl(1,1,1,3,3-2H5)-5-hepten-2-one

  • Molecular FormulaC8H9D5O
  • Average mass131.227 Da
  • Monoisotopic mass131.135849 Da
  • ChemSpider ID107436717
  • Non-standard isotope - Non-standard isotope


More details:






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

5-Hepten-2-one-1,1,1,3,3-d5, 6-methyl- [ACD/Index Name]
6-Methyl(1,1,1,3,3-2H5)-5-hepten-2-on [German] [ACD/IUPAC Name]
6-Methyl(1,1,1,3,3-2H5)-5-hepten-2-one [ACD/IUPAC Name]
6-Méthyl(1,1,1,3,3-2H5)-5-heptén-2-one [French] [ACD/IUPAC Name]
55320-91-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 173.3±9.0 °C at 760 mmHg
Vapour Pressure: 1.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.0±3.0 kJ/mol
Flash Point: 50.6±0.0 °C
Index of Refraction: 1.430
Molar Refractivity: 39.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.47
ACD/KOC (pH 5.5): 465.65
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.47
ACD/KOC (pH 7.4): 465.65
Polar Surface Area: 17 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 25.3±3.0 dyne/cm
Molar Volume: 151.1±3.0 cm3

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