ChemSpider 2D Image | MFCD18431829 | C8H8O5

MFCD18431829

  • Molecular FormulaC8H8O5
  • Average mass184.146 Da
  • Monoisotopic mass184.037170 Da
  • ChemSpider ID21403518

More details:

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

(5-Hydroxy-4-oxo-4H-pyran-2-yl)methyl acetate [ACD/IUPAC Name]
(5-Hydroxy-4-oxo-4H-pyran-2-yl)methyl-acetat [German] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[(acetyloxy)methyl]-5-hydroxy- [ACD/Index Name]
Acétate de (5-hydroxy-4-oxo-4H-pyran-2-yl)méthyle [French] [ACD/IUPAC Name]
MFCD18431829
(5-HYDROXY-4-OXOPYRAN-2-YL)METHYL ACETATE
25552-08-3 [RN]
VS-13493

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 356.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 69.6±6.0 kJ/mol
    Flash Point: 148.7±21.4 °C
    Index of Refraction: 1.543
    Molar Refractivity: 41.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.31
    ACD/LogD (pH 5.5): -0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 21.91
    ACD/LogD (pH 7.4): -0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 16.34
    Polar Surface Area: 73 Å2
    Polarizability: 16.4±0.5 10-24cm3
    Surface Tension: 54.7±3.0 dyne/cm
    Molar Volume: 131.1±3.0 cm3

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