ChemSpider 2D Image | Dimethyl 3,3'-dichloro-4,4'-biphenyldicarboxylate | C16H12Cl2O4

Dimethyl 3,3'-dichloro-4,4'-biphenyldicarboxylate

  • Molecular FormulaC16H12Cl2O4
  • Average mass339.170 Da
  • Monoisotopic mass338.011261 Da
  • ChemSpider ID28535561

More details:

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

[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3,3'-dichloro-, dimethyl ester [ACD/Index Name]
3,3'-Dichloro-4,4'-biphényldicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3,3'-dichloro-4,4'-biphenyldicarboxylate [ACD/IUPAC Name]
Dimethyl-3,3'-dichlor-4,4'-biphenyldicarboxylat [German] [ACD/IUPAC Name]
1345472-30-1 [RN]
98%
Dimethyl 3,3'-dichloro[1,1'-biphenyl]-4,4'-dicarboxylate
DIMETHYL 3,3'-DICHLOROBIPHENYL-4,4'-DICARBOXYLATE
Dimethyl3,3'-dichlorobiphenyl-4,4'-dicarboxylate
Methyl 2-chloro-4-[3-chloro-4-(methoxycarbonyl)phenyl]benzoate
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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: 460.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±3.0 kJ/mol
    Flash Point: 179.0±27.7 °C
    Index of Refraction: 1.576
    Molar Refractivity: 84.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.22
    ACD/LogD (pH 5.5): 4.55
    ACD/BCF (pH 5.5): 1692.04
    ACD/KOC (pH 5.5): 7120.23
    ACD/LogD (pH 7.4): 4.55
    ACD/BCF (pH 7.4): 1692.04
    ACD/KOC (pH 7.4): 7120.23
    Polar Surface Area: 53 Å2
    Polarizability: 33.4±0.5 10-24cm3
    Surface Tension: 45.9±3.0 dyne/cm
    Molar Volume: 254.4±3.0 cm3

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