ChemSpider 2D Image | Ethyl 4-hydroxy(~2~H_4_)benzoate | C9H6D4O3

Ethyl 4-hydroxy(2H4)benzoate

  • Molecular FormulaC9H6D4O3
  • Average mass170.199 Da
  • Monoisotopic mass170.088104 Da
  • ChemSpider ID24533832
  • Non-standard isotope - Non-standard isotope


More details:






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

4-Hydroxy(2H4)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic-2,3,5,6-d4 acid, 4-hydroxy-, ethyl ester [ACD/Index Name]
Ethyl 4-hydroxy(2H4)benzoate [ACD/IUPAC Name]
Ethyl-4-hydroxy(2H4)benzoat [German] [ACD/IUPAC Name]
1219795-53-5 [RN]
ethyl 2,3,5,6-tetradeuterio-4-hydroxybenzoate
Ethyl 4-Hydroxybenzoate-2,3,5,6-d4
Ethylparaben [NF] [USAN] [Wiki]

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

Click to predict properties on the Chemicalize site






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