ChemSpider 2D Image | 2-{[(7-Hydroxy-4-methyloctyl)oxy]carbonyl}(~2~H_4_)benzoic acid | C17H20D4O5

2-{[(7-Hydroxy-4-methyloctyl)oxy]carbonyl}(2H4)benzoic acid

  • Molecular FormulaC17H20D4O5
  • Average mass312.394 Da
  • Monoisotopic mass312.187469 Da
  • ChemSpider ID48059183

  • 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(7-hydroxy-4-methyloctyl) ester [ACD/Index Name]
2-{[(7-Hydroxy-4-methyloctyl)oxy]carbonyl}(2H4)benzoesäure [German] [ACD/IUPAC Name]
2-{[(7-Hydroxy-4-methyloctyl)oxy]carbonyl}(2H4)benzoic acid [ACD/IUPAC Name]
Acide 2-{[(7-hydroxy-4-méthyloctyl)oxy]carbonyl}(2H4)benzoïque [French] [ACD/IUPAC Name]
1,2-Benzenedicarboxylic Acid 1-(7-Hydroxy-4-methyloctyl) Ester-d4
1332965-98-6 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 474.5±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.7±3.0 kJ/mol
    Flash Point: 167.8±18.1 °C
    Index of Refraction: 1.530
    Molar Refractivity: 83.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.01
    ACD/LogD (pH 5.5): 1.61
    ACD/BCF (pH 5.5): 3.13
    ACD/KOC (pH 5.5): 20.07
    ACD/LogD (pH 7.4): 0.61
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.97
    Polar Surface Area: 84 Å2
    Polarizability: 33.1±0.5 10-24cm3
    Surface Tension: 46.1±3.0 dyne/cm
    Molar Volume: 270.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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