ChemSpider 2D Image | 4-(Ethoxycarbonyl)phthalic acid | C11H10O6

4-(Ethoxycarbonyl)phthalic acid

  • Molecular FormulaC11H10O6
  • Average mass238.193 Da
  • Monoisotopic mass238.047745 Da
  • ChemSpider ID15181776

More details:

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

1,2,4-Benzenetricarboxylic acid, 4-ethyl ester [ACD/Index Name]
4-(Ethoxycarbonyl)phthalic acid [ACD/IUPAC Name]
4-(Ethoxycarbonyl)phthalsäure [German] [ACD/IUPAC Name]
Acide 4-(éthoxycarbonyl)phtalique [French] [ACD/IUPAC Name]
1,2,4-Benzenetricarboxylic acid, 2-ethyl ester [ACD/Index Name]
1170416-53-1 [RN]
4-(ethoxycarbonyl)benzene-1,2-dicarboxylic acid
4-ethoxycarbonylphthalic acid
Benzene-1,2,4-tricarboxylic acid 4-ethyl ester
MFCD13704928 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 455.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.4±3.0 kJ/mol
    Flash Point: 181.0±20.8 °C
    Index of Refraction: 1.584
    Molar Refractivity: 56.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.71
    ACD/LogD (pH 5.5): -1.41
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 63.2±3.0 dyne/cm
    Molar Volume: 168.9±3.0 cm3

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