ChemSpider 2D Image | Trifluoromethyl 2-thiophenecarboxylate | C6H3F3O2S

Trifluoromethyl 2-thiophenecarboxylate

  • Molecular FormulaC6H3F3O2S
  • Average mass196.147 Da
  • Monoisotopic mass195.980591 Da
  • ChemSpider ID61220530

More details:

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

2-Thiophènecarboxylate de trifluorométhyle [French] [ACD/IUPAC Name]
2-Thiophenecarboxylic acid, trifluoromethyl ester [ACD/Index Name]
Trifluormethyl-2-thiophencarboxylat [German] [ACD/IUPAC Name]
Trifluoromethyl 2-thiophenecarboxylate [ACD/IUPAC Name]
1864991-58-1 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 266.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.5±3.0 kJ/mol
Flash Point: 115.1±27.3 °C
Index of Refraction: 1.466
Molar Refractivity: 36.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.61
ACD/KOC (pH 5.5): 725.44
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.61
ACD/KOC (pH 7.4): 725.44
Polar Surface Area: 55 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 133.2±3.0 cm3

Click to predict properties on the Chemicalize site


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