ChemSpider 2D Image | 2-(Isobutoxycarbonyl)(~2~H_4_)benzoic acid | C12H10D4O4

2-(Isobutoxycarbonyl)(2H4)benzoic acid

  • Molecular FormulaC12H10D4O4
  • Average mass226.262 Da
  • Monoisotopic mass226.114319 Da
  • ChemSpider ID24533743

  • 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, mono(2-methylpropyl) ester [ACD/Index Name]
2-(Isobutoxycarbonyl)(2H4)benzoesäure [German] [ACD/IUPAC Name]
2-(Isobutoxycarbonyl)(2H4)benzoic acid [ACD/IUPAC Name]
Acide 2-(isobutoxycarbonyl)(2H4)benzoïque [French] [ACD/IUPAC Name]
1219802-26-2 [RN]
2,3,4,5-tetradeuterio-6-(2-methylpropoxycarbonyl)benzoic acid
2-[(2-Methylpropoxy)carbonyl](2H4)benzoic acid
478954-81-3 [RN]
iso-Butyl hydrogen phthalate
Monobutyl Phthalate-d4
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 356.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±3.0 kJ/mol
    Flash Point: 135.0±16.7 °C
    Index of Refraction: 1.532
    Molar Refractivity: 58.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.54
    ACD/LogD (pH 5.5): 0.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.53
    ACD/LogD (pH 7.4): -0.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 44.8±3.0 dyne/cm
    Molar Volume: 189.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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