ChemSpider 2D Image | (~2~H_3_)Methyl 3-(trifluoromethyl)benzoate | C9H4D3F3O2

(2H3)Methyl 3-(trifluoromethyl)benzoate

  • Molecular FormulaC9H4D3F3O2
  • Average mass207.164 Da
  • Monoisotopic mass207.058640 Da
  • ChemSpider ID111329971

  • Non-standard isotope - Non-standard isotope

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 208.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.5±3.0 kJ/mol
Flash Point: 70.0±19.6 °C
Index of Refraction: 1.447
Molar Refractivity: 43.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.25
ACD/KOC (pH 5.5): 955.25
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.25
ACD/KOC (pH 7.4): 955.25
Polar Surface Area: 26 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 27.8±3.0 dyne/cm
Molar Volume: 160.8±3.0 cm3

Click to predict properties on the Chemicalize site


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