ChemSpider 2D Image | (~2~H_3_)Methyl salicylate | C8H5D3O3

(2H3)Methyl salicylate

  • Molecular FormulaC8H5D3O3
  • Average mass155.166 Da
  • Monoisotopic mass155.066177 Da
  • ChemSpider ID107434743
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H3)Methyl salicylate [ACD/IUPAC Name]
(2H3)Methylsalicylat [German] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-, methyl-d3 ester [ACD/Index Name]
Salicylate de (2H3)méthyle [French] [ACD/IUPAC Name]
1335435-40-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 222.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 86.8±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: 2.23
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.71
ACD/KOC (pH 5.5): 502.73
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.53
ACD/KOC (pH 7.4): 500.58
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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