ChemSpider 2D Image | 2-(3,5-Dichlorophenyl)-3-[(2-methyl-2-propanyl)oxy]-3-oxopropanoic acid | C13H14Cl2O4

2-(3,5-Dichlorophenyl)-3-[(2-methyl-2-propanyl)oxy]-3-oxopropanoic acid

  • Molecular FormulaC13H14Cl2O4
  • Average mass305.154 Da
  • Monoisotopic mass304.026917 Da
  • ChemSpider ID30800432

More details:

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

2-(3,5-Dichlorophenyl)-3-[(2-methyl-2-propanyl)oxy]-3-oxopropanoic acid [ACD/IUPAC Name]
2-(3,5-Dichlorphenyl)-3-[(2-methyl-2-propanyl)oxy]-3-oxopropansäure [German] [ACD/IUPAC Name]
Acide 2-(3,5-dichlorophényl)-3-[(2-méthyl-2-propanyl)oxy]-3-oxopropanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-(3,5-dichlorophenyl)-, mono(1,1-dimethylethyl) ester [ACD/Index Name]
2-(tert-butoxycarbonyl)-2-(3,5-dichlorophenyl)acetic acid
369403-30-5 [RN]
MFCD26402801

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 396.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.2±3.0 kJ/mol
    Flash Point: 193.4±27.9 °C
    Index of Refraction: 1.546
    Molar Refractivity: 72.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.25
    ACD/LogD (pH 5.5): 1.25
    ACD/BCF (pH 5.5): 1.11
    ACD/KOC (pH 5.5): 5.95
    ACD/LogD (pH 7.4): 0.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 227.6±3.0 cm3

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