ChemSpider 2D Image | 3,5-Dichloro-4-[(1Z)-3-ethoxy-2-methyl-3-oxo-1-propen-1-yl]benzoic acid | C13H12Cl2O4

3,5-Dichloro-4-[(1Z)-3-ethoxy-2-methyl-3-oxo-1-propen-1-yl]benzoic acid

  • Molecular FormulaC13H12Cl2O4
  • Average mass303.138 Da
  • Monoisotopic mass302.011261 Da
  • ChemSpider ID58186433

  • Double-bond stereo - Double-bond stereo

More details:

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

3,5-Dichlor-4-[(1Z)-3-ethoxy-2-methyl-3-oxo-1-propen-1-yl]benzoesäure [German] [ACD/IUPAC Name]
3,5-Dichloro-4-[(1Z)-3-ethoxy-2-methyl-3-oxo-1-propen-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 3,5-dichloro-4-[(1Z)-3-éthoxy-2-méthyl-3-oxo-1-propén-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-dichloro-4-[(1Z)-3-ethoxy-2-methyl-3-oxo-1-propen-1-yl]- [ACD/Index Name]
(Z)-3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid
1110767-01-5 [RN]
2502057-35-2 [RN]
BS-18077
MFCD30471709

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 442.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.7±3.0 kJ/mol
    Flash Point: 221.2±28.7 °C
    Index of Refraction: 1.593
    Molar Refractivity: 74.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.33
    ACD/LogD (pH 5.5): 2.29
    ACD/BCF (pH 5.5): 10.39
    ACD/KOC (pH 5.5): 48.84
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.39
    Polar Surface Area: 64 Å2
    Polarizability: 29.5±0.5 10-24cm3
    Surface Tension: 50.1±3.0 dyne/cm
    Molar Volume: 219.6±3.0 cm3

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