ChemSpider 2D Image | Ethyl 8-chloro-2-oxo-2H-chromene-3-carboxylate | C12H9ClO4

Ethyl 8-chloro-2-oxo-2H-chromene-3-carboxylate

  • Molecular FormulaC12H9ClO4
  • Average mass252.650 Da
  • Monoisotopic mass252.018936 Da
  • ChemSpider ID15288702

More details:

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

2H-1-Benzopyran-3-carboxylic acid, 8-chloro-2-oxo-, ethyl ester [ACD/Index Name]
70384-84-8 [RN]
8-Chloro-2-oxo-2H-chromène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 8-chloro-2-oxo-2H-1-benzopyran-3-carboxylate
Ethyl 8-chloro-2-oxo-2H-chromene-3-carboxylate [ACD/IUPAC Name]
Ethyl-8-chlor-2-oxo-2H-chromen-3-carboxylat [German] [ACD/IUPAC Name]
ETHYL 8-CHLORO-2-OXOCHROMENE-3-CARBOXYLATE

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 413.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±3.0 kJ/mol
    Flash Point: 180.3±27.7 °C
    Index of Refraction: 1.579
    Molar Refractivity: 60.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.48
    ACD/LogD (pH 5.5): 2.99
    ACD/BCF (pH 5.5): 110.90
    ACD/KOC (pH 5.5): 1012.45
    ACD/LogD (pH 7.4): 2.99
    ACD/BCF (pH 7.4): 110.90
    ACD/KOC (pH 7.4): 1012.45
    Polar Surface Area: 53 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 181.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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