ChemSpider 2D Image | Ethyl 8-(chloromethyl)-4H-1,3-benzodioxin-6-carboxylate | C12H13ClO4

Ethyl 8-(chloromethyl)-4H-1,3-benzodioxin-6-carboxylate

  • Molecular FormulaC12H13ClO4
  • Average mass256.682 Da
  • Monoisotopic mass256.050232 Da
  • ChemSpider ID28595213

More details:

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

175205-83-1 [RN]
4H-1,3-Benzodioxin-6-carboxylic acid, 8-(chloromethyl)-, ethyl ester [ACD/Index Name]
8-(Chlorométhyl)-4H-1,3-benzodioxine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
ethyl 8-(chloromethyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate
Ethyl 8-(chloromethyl)-4H-1,3-benzodioxin-6-carboxylate
Ethyl 8-(chloromethyl)-4H-1,3-benzodioxine-6-carboxylate [ACD/IUPAC Name]
Ethyl-8-(chlormethyl)-4H-1,3-benzodioxin-6-carboxylat [German] [ACD/IUPAC Name]
4H-1,3-BENZODIOXIN-6-CARBOXYLICACID, 8-(CHLOROMETHYL)-, ETHYL ESTER
8-Chloromethyl-4H-benzo[1,3]dioxine-6-carboxylic acid ethyl ester
AG-E-25484
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 425.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.0±3.0 kJ/mol
    Flash Point: 182.7±27.7 °C
    Index of Refraction: 1.543
    Molar Refractivity: 63.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.27
    ACD/LogD (pH 5.5): 2.60
    ACD/BCF (pH 5.5): 56.07
    ACD/KOC (pH 5.5): 621.36
    ACD/LogD (pH 7.4): 2.60
    ACD/BCF (pH 7.4): 56.07
    ACD/KOC (pH 7.4): 621.36
    Polar Surface Area: 45 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 46.2±3.0 dyne/cm
    Molar Volume: 200.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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