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

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

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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