ChemSpider 2D Image | 4-(Trifluoromethyl)-3-thiophenecarboxylic acid | C6H3F3O2S

4-(Trifluoromethyl)-3-thiophenecarboxylic acid

  • Molecular FormulaC6H3F3O2S
  • Average mass196.147 Da
  • Monoisotopic mass195.980591 Da
  • ChemSpider ID65087023

More details:

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

3-Thiophenecarboxylic acid, 4-(trifluoromethyl)- [ACD/Index Name]
4-(Trifluormethyl)-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-(Trifluoromethyl)-3-thiophenecarboxylic acid [ACD/IUPAC Name]
4-(trifluoromethyl)thiophene-3-carboxylic acid
767337-60-0 [RN]
Acide 4-(trifluorométhyl)-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
MFCD20641943

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

Density: 1.6±0.1 g/cm3
Boiling Point: 255.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 52.1±3.0 kJ/mol
Flash Point: 108.3±27.3 °C
Index of Refraction: 1.497
Molar Refractivity: 36.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.11
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 125.0±3.0 cm3

Click to predict properties on the Chemicalize site


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