ChemSpider 2D Image | 2-(Trifluoromethyl)(3-~2~H)benzoic acid | C8H4DF3O2

2-(Trifluoromethyl)(3-2H)benzoic acid

  • Molecular FormulaC8H4DF3O2
  • Average mass191.126 Da
  • Monoisotopic mass191.030441 Da
  • ChemSpider ID29785482

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(Trifluormethyl)(3-2H)benzoesäure [German] [ACD/IUPAC Name]
2-(Trifluoromethyl)(3-2H)benzoic acid [ACD/IUPAC Name]
Acide 2-(trifluorométhyl)(3-2H)benzoïque [French] [ACD/IUPAC Name]
Benzoic-3-d acid, 2-(trifluoromethyl)- [ACD/Index Name]
2-(Trifluoromethyl)benzoic acid [ACD/IUPAC Name]
433-97-6 [RN]

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

MFCD00002476 [DBID] [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 243.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.8±3.0 kJ/mol
Flash Point: 101.2±27.3 °C
Index of Refraction: 1.475
Molar Refractivity: 38.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.34
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 135.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement