ChemSpider 2D Image | Ethyl oxo[(3S)-2-oxotetrahydro-2H-pyran-3-yl]acetate | C9H12O5

Ethyl oxo[(3S)-2-oxotetrahydro-2H-pyran-3-yl]acetate

  • Molecular FormulaC9H12O5
  • Average mass200.189 Da
  • Monoisotopic mass200.068466 Da
  • ChemSpider ID32795808

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-Pyran-3-acetic acid, tetrahydro-α,2-dioxo-, ethyl ester, (3S)- [ACD/Index Name]
Ethyl oxo[(3S)-2-oxotetrahydro-2H-pyran-3-yl]acetate [ACD/IUPAC Name]
Ethyl-oxo[(3S)-2-oxotetrahydro-2H-pyran-3-yl]acetat [German] [ACD/IUPAC Name]
Oxo[(3S)-2-oxotétrahydro-2H-pyran-3-yl]acétate d'éthyle [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: 366.7±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 165.8±24.9 °C
Index of Refraction: 1.469
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.89
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.71
Polar Surface Area: 70 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 161.7±3.0 cm3

Click to predict properties on the Chemicalize site


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