ChemSpider 2D Image | 2-(Methoxycarbonyl)(~2~H_4_)benzoic acid | C9H4D4O4

2-(Methoxycarbonyl)(2H4)benzoic acid

  • Molecular FormulaC9H4D4O4
  • Average mass184.182 Da
  • Monoisotopic mass184.067368 Da
  • ChemSpider ID25196703
  • Non-standard isotope - Non-standard isotope


More details:






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

1,2-Benzene-d4-dicarboxylic acid, monomethyl ester [ACD/Index Name]
2-(Methoxycarbonyl)(2H4)benzoesäure [German] [ACD/IUPAC Name]
2-(Methoxycarbonyl)(2H4)benzoic acid [ACD/IUPAC Name]
Acide 2-(méthoxycarbonyl)(2H4)benzoïque [French] [ACD/IUPAC Name]
1276197-40-0 [RN]
2,3,4,5-tetradeuterio-6-methoxycarbonylbenzoic acid
METHYL HYDROGEN PHTHALATE
mono-Methyl Phthalate-3,4,5,6-d4
monomethyl phthalate-d4
Phthalic acid mono methyl ester

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 328.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.3±3.0 kJ/mol
    Flash Point: 134.7±16.7 °C
    Index of Refraction: 1.556
    Molar Refractivity: 45.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): -0.65
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.12
    ACD/LogD (pH 7.4): -1.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 17.8±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 139.9±3.0 cm3

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