ChemSpider 2D Image | 2-(~2~H_5_)Ethyl-3-hydroxy-4H-pyran-4-one | C7H3D5O3

2-(2H5)Ethyl-3-hydroxy-4H-pyran-4-one

  • Molecular FormulaC7H3D5O3
  • Average mass145.167 Da
  • Monoisotopic mass145.078735 Da
  • ChemSpider ID58794401

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H5)Ethyl-3-hydroxy-4H-pyran-4-on [German] [ACD/IUPAC Name]
2-(2H5)Ethyl-3-hydroxy-4H-pyran-4-one [ACD/IUPAC Name]
2-(2H5)Éthyl-3-hydroxy-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-(ethyl-d5)-3-hydroxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 290.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.5±6.0 kJ/mol
Flash Point: 124.8±20.8 °C
Index of Refraction: 1.541
Molar Refractivity: 34.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 44.71
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 40.53
Polar Surface Area: 47 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 111.1±3.0 cm3

Click to predict properties on the Chemicalize site


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