ChemSpider 2D Image | Methyl 3-[(~2~H_3_)methyloxy]benzoate | C9H7D3O3

Methyl 3-[(2H3)methyloxy]benzoate

  • Molecular FormulaC9H7D3O3
  • Average mass169.192 Da
  • Monoisotopic mass169.081818 Da
  • ChemSpider ID114913940

  • Non-standard isotope - Non-standard isotope

More details:

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

3-[(2H3)Méthyloxy]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(methyl-d3-oxy)-, methyl ester [ACD/Index Name]
Methyl 3-[(2H3)methyloxy]benzoate [ACD/IUPAC Name]
Methyl-3-[(2H3)methyloxy]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 252.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.9±3.0 kJ/mol
Flash Point: 93.8±14.4 °C
Index of Refraction: 1.503
Molar Refractivity: 44.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.45
ACD/KOC (pH 5.5): 391.93
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.45
ACD/KOC (pH 7.4): 391.93
Polar Surface Area: 36 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 151.3±3.0 cm3

Click to predict properties on the Chemicalize site


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