ChemSpider 2D Image | 3',4-Bis(trifluoromethyl)-2-biphenylcarboxylic acid | C15H8F6O2

3',4-Bis(trifluoromethyl)-2-biphenylcarboxylic acid

  • Molecular FormulaC15H8F6O2
  • Average mass334.213 Da
  • Monoisotopic mass334.042847 Da
  • ChemSpider ID57375937

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 3',4-bis(trifluoromethyl)- [ACD/Index Name]
3',4-Bis(trifluormethyl)-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
3',4-Bis(trifluoromethyl)-2-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 3',4-bis(trifluorométhyl)-2-biphénylcarboxylique [French] [ACD/IUPAC Name]
1261748-43-9 [RN]
3',4-Bis(trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid
4,3'-Bis(trifluoromethyl)biphenyl-2-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 341.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 160.4±27.9 °C
Index of Refraction: 1.490
Molar Refractivity: 67.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 34.81
ACD/KOC (pH 5.5): 113.68
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 3.33
ACD/KOC (pH 7.4): 10.87
Polar Surface Area: 37 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 234.3±3.0 cm3

Click to predict properties on the Chemicalize site


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