ChemSpider 2D Image | 5-Sulfanyl-2-(trifluoromethyl)benzoic acid | C8H5F3O2S

5-Sulfanyl-2-(trifluoromethyl)benzoic acid

  • Molecular FormulaC8H5F3O2S
  • Average mass222.184 Da
  • Monoisotopic mass221.996231 Da
  • ChemSpider ID37161101

More details:

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

5-Sulfanyl-2-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
5-Sulfanyl-2-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 5-sulfanyl-2-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-mercapto-2-(trifluoromethyl)- [ACD/Index Name]
1503328-69-5 [RN]
5-Mercapto-2-(trifluoromethyl)benzoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 311.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.3±3.0 kJ/mol
Flash Point: 142.1±27.9 °C
Index of Refraction: 1.538
Molar Refractivity: 46.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.69
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 148.1±3.0 cm3

Click to predict properties on the Chemicalize site


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