ChemSpider 2D Image | (3,3,5,5-~2~H_4_)Tetrahydro-4H-pyran-4-one | C5H4D4O2

(3,3,5,5-2H4)Tetrahydro-4H-pyran-4-one

  • Molecular FormulaC5H4D4O2
  • Average mass104.141 Da
  • Monoisotopic mass104.077538 Da
  • ChemSpider ID111333287

  • Non-standard isotope - Non-standard isotope

More details:

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

(3,3,5,5-2H4)Tetrahydro-4H-pyran-4-on [German] [ACD/IUPAC Name]
(3,3,5,5-2H4)Tetrahydro-4H-pyran-4-one [ACD/IUPAC Name]
(3,3,5,5-2H4)Tétrahydro-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one-3,5-d2, tetrahydro-3,5-d2- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 167.5±15.0 °C at 760 mmHg
Vapour Pressure: 1.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.4±3.0 kJ/mol
Flash Point: 56.7±0.0 °C
Index of Refraction: 1.440
Molar Refractivity: 24.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.84
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.84
Polar Surface Area: 26 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 94.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement