ChemSpider 2D Image | (3-~2~H)-4H-Pyran-4-one | C5H3DO2

(3-2H)-4H-Pyran-4-one

  • Molecular FormulaC5H3DO2
  • Average mass97.090 Da
  • Monoisotopic mass97.027405 Da
  • ChemSpider ID73945816

  • Non-standard isotope - Non-standard isotope

More details:

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

(3-2H)-4H-Pyran-4-on [German] [ACD/IUPAC Name]
(3-2H)-4H-Pyran-4-one [ACD/IUPAC Name]
(3-2H)-4H-Pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one-3-d [ACD/Index 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: 212.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.9±3.0 kJ/mol
Flash Point: 101.1±0.0 °C
Index of Refraction: 1.508
Molar Refractivity: 24.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.99
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.99
Polar Surface Area: 26 Å2
Polarizability: 9.5±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 80.6±3.0 cm3

Click to predict properties on the Chemicalize site


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