ChemSpider 2D Image | Methyl 4-ethynyl-2-(trifluoromethoxy)benzoate | C11H7F3O3

Methyl 4-ethynyl-2-(trifluoromethoxy)benzoate

  • Molecular FormulaC11H7F3O3
  • Average mass244.167 Da
  • Monoisotopic mass244.034729 Da
  • ChemSpider ID98513839

More details:

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

4-Éthynyl-2-(trifluorométhoxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-ethynyl-2-(trifluoromethoxy)-, methyl ester [ACD/Index Name]
Methyl 4-ethynyl-2-(trifluoromethoxy)benzoate [ACD/IUPAC Name]
Methyl-4-ethinyl-2-(trifluormethoxy)benzoat [German] [ACD/IUPAC Name]
2301068-52-8 [RN]
4-Ethynyl-2-trifluoromethoxy-benzoic acid methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 259.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.7±3.0 kJ/mol
Flash Point: 107.6±22.2 °C
Index of Refraction: 1.480
Molar Refractivity: 51.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.38
ACD/KOC (pH 5.5): 1099.11
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.38
ACD/KOC (pH 7.4): 1099.11
Polar Surface Area: 36 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 181.8±5.0 cm3

Click to predict properties on the Chemicalize site


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