ChemSpider 2D Image | 2-Hydroxy-3-(~2~H_3_)methyl-2-cyclopenten-1-one | C6H5D3O2

2-Hydroxy-3-(2H3)methyl-2-cyclopenten-1-one

  • Molecular FormulaC6H5D3O2
  • Average mass115.145 Da
  • Monoisotopic mass115.071259 Da
  • ChemSpider ID107440370

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Cyclopenten-1-one, 2-hydroxy-3-(methyl-d3)- [ACD/Index Name]
2-Hydroxy-3-(2H3)methyl-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
2-Hydroxy-3-(2H3)methyl-2-cyclopenten-1-one [ACD/IUPAC Name]
2-Hydroxy-3-(2H3)méthyl-2-cyclopentén-1-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 245.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.0±6.0 kJ/mol
Flash Point: 100.7±19.9 °C
Index of Refraction: 1.549
Molar Refractivity: 29.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 39.14
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 38.54
Polar Surface Area: 37 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 91.5±3.0 cm3

Click to predict properties on the Chemicalize site


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