ChemSpider 2D Image | (~2~H_9_)Butyl 4-hydroxybenzoate | C11H5D9O3

(2H9)Butyl 4-hydroxybenzoate

  • Molecular FormulaC11H5D9O3
  • Average mass203.283 Da
  • Monoisotopic mass203.150787 Da
  • ChemSpider ID35467400

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H9)Butyl 4-hydroxybenzoate [ACD/IUPAC Name]
(2H9)Butyl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (2H9)butyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, butyl-d9 ester [ACD/Index Name]
1,1,2,2,3,3,4,4,4-nonadeuteriobutyl 4-hydroxybenzoate
1216904-65-2 [RN]
Butyl-d9 Paraben

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 309.2±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±3.0 kJ/mol
    Flash Point: 129.2±13.2 °C
    Index of Refraction: 1.526
    Molar Refractivity: 53.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.46
    ACD/LogD (pH 5.5): 3.18
    ACD/BCF (pH 5.5): 154.17
    ACD/KOC (pH 5.5): 1281.00
    ACD/LogD (pH 7.4): 3.12
    ACD/BCF (pH 7.4): 134.12
    ACD/KOC (pH 7.4): 1114.37
    Polar Surface Area: 47 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 42.1±3.0 dyne/cm
    Molar Volume: 175.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement