ChemSpider 2D Image | Methyl 2-fluoro-3-(trifluoromethyl)benzoate | C9H6F4O2

Methyl 2-fluoro-3-(trifluoromethyl)benzoate

  • Molecular FormulaC9H6F4O2
  • Average mass222.136 Da
  • Monoisotopic mass222.030396 Da
  • ChemSpider ID23348397

More details:

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

178748-05-5 [RN]
2-Fluoro-3-(trifluorométhyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-fluoro-3-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 2-fluoro-3-(trifluoromethyl)benzoate [ACD/IUPAC Name]
Methyl-2-fluor-3-(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
2-fluoro-3-(trifluoromethyl)-Benzoic acid methyl ester
2-Fluoro-3-trifluoromethylbenzoic acid, methyl ester
methyl 2-fluoro-3-trifluoromethylbenzoate
MFCD06203703

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

Density: 1.3±0.1 g/cm3
Boiling Point: 227.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.4±3.0 kJ/mol
Flash Point: 89.1±22.2 °C
Index of Refraction: 1.434
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: 3.03
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.84
ACD/KOC (pH 5.5): 842.82
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.84
ACD/KOC (pH 7.4): 842.82
Polar Surface Area: 26 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 165.0±3.0 cm3

Click to predict properties on the Chemicalize site


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