ChemSpider 2D Image | Ethyl 6-chloro-3-chromanecarboxylate | C12H13ClO3

Ethyl 6-chloro-3-chromanecarboxylate

  • Molecular FormulaC12H13ClO3
  • Average mass240.683 Da
  • Monoisotopic mass240.055328 Da
  • ChemSpider ID26547011

More details:

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

2H-1-Benzopyran-3-carboxylic acid, 6-chloro-3,4-dihydro-, ethyl ester [ACD/Index Name]
6-Chloro-3-chromanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
6-Chloro-chroman-3-carboxylic acid ethyl ester
885271-36-3 [RN]
ethyl 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylate
Ethyl 6-chloro-3-chromanecarboxylate [ACD/IUPAC Name]
Ethyl-6-chlor-3-chromancarboxylat [German] [ACD/IUPAC Name]
[885271-36-3] [RN]
ethyl 6-chlorochroman-3-carboxylate
ethyl 6-chlorochromane-3-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 335.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.8±3.0 kJ/mol
    Flash Point: 137.0±26.9 °C
    Index of Refraction: 1.538
    Molar Refractivity: 60.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.42
    ACD/LogD (pH 5.5): 3.36
    ACD/BCF (pH 5.5): 210.94
    ACD/KOC (pH 5.5): 1604.11
    ACD/LogD (pH 7.4): 3.36
    ACD/BCF (pH 7.4): 210.94
    ACD/KOC (pH 7.4): 1604.11
    Polar Surface Area: 36 Å2
    Polarizability: 24.0±0.5 10-24cm3
    Surface Tension: 42.5±3.0 dyne/cm
    Molar Volume: 193.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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