ChemSpider 2D Image | (~2~H_5_)Ethyl 4-hydroxybenzoate | C9H5D5O3

(2H5)Ethyl 4-hydroxybenzoate

  • Molecular FormulaC9H5D5O3
  • Average mass171.205 Da
  • Monoisotopic mass171.094376 Da
  • ChemSpider ID18693343

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H5)Ethyl 4-hydroxybenzoate [ACD/IUPAC Name]
(2H5)Ethyl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
126070-21-1 [RN]
4-Hydroxybenzoate de (2H5)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, ethyl-d5 ester [ACD/Index Name]
Benzoic acid, 4-hydroxy-, ethyl-d5 ester
1,1,2,2,2-pentadeuterioethyl 4-hydroxybenzoate
Benzoic acid, 4-hydroxy-, ethyl-d5 ester (9CI)
Ethyl-d5 Paraben

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 297.5±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 55.9±3.0 kJ/mol
    Flash Point: 120.3±12.6 °C
    Index of Refraction: 1.539
    Molar Refractivity: 44.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 49.22
    ACD/KOC (pH 5.5): 565.78
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 43.85
    ACD/KOC (pH 7.4): 504.09
    Polar Surface Area: 47 Å2
    Polarizability: 17.7±0.5 10-24cm3
    Surface Tension: 44.3±3.0 dyne/cm
    Molar Volume: 142.3±3.0 cm3

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