ChemSpider 2D Image | (~2~H_3_)Methyl 4-hydroxybenzoate | C8H5D3O3

(2H3)Methyl 4-hydroxybenzoate

  • Molecular FormulaC8H5D3O3
  • Average mass155.166 Da
  • Monoisotopic mass155.066177 Da
  • ChemSpider ID48062247
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H3)Methyl 4-hydroxybenzoate [ACD/IUPAC Name]
(2H3)Methyl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, methyl-d3 ester [ACD/Index Name]
1216543-26-8 [RN]
trideuteriomethyl 4-hydroxybenzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 265.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 116.4±12.6 °C
Index of Refraction: 1.547
Molar Refractivity: 39.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 25.08
ACD/KOC (pH 5.5): 349.23
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.35
ACD/KOC (pH 7.4): 311.15
Polar Surface Area: 47 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 125.8±3.0 cm3

Click to predict properties on the Chemicalize site






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