ChemSpider 2D Image | 3,5-Bis[(~2~H_3_)methyl](~2~H_3_)benzoic acid | C9HD9O2

3,5-Bis[(2H3)methyl](2H3)benzoic acid

  • Molecular FormulaC9HD9O2
  • Average mass159.230 Da
  • Monoisotopic mass159.124573 Da
  • ChemSpider ID28295680
  • Non-standard isotope - Non-standard isotope


More details:






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

3,5-Bis[(2H3)methyl](2H3)benzoesäure [German] [ACD/IUPAC Name]
3,5-Bis[(2H3)methyl](2H3)benzoic acid [ACD/IUPAC Name]
Acide 3,5-bis[(2H3)méthyl](2H3)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,4,6-d3 acid, 3,5-di(methyl-d3)- [ACD/Index Name]
1335014-65-7 [RN]
3,5-Dimethylbenzoic-d9 Acid
Mesitylenic acid

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 277.9±9.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.6±3.0 kJ/mol
    Flash Point: 128.2±13.4 °C
    Index of Refraction: 1.550
    Molar Refractivity: 42.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): 1.56
    ACD/BCF (pH 5.5): 4.69
    ACD/KOC (pH 5.5): 48.52
    ACD/LogD (pH 7.4): -0.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.17
    Polar Surface Area: 37 Å2
    Polarizability: 17.0±0.5 10-24cm3
    Surface Tension: 43.1±3.0 dyne/cm
    Molar Volume: 134.5±3.0 cm3

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