ChemSpider 2D Image | 3,4,5-Trifluoro-2-hydroxybenzonitrile | C7H2F3NO

3,4,5-Trifluoro-2-hydroxybenzonitrile

  • Molecular FormulaC7H2F3NO
  • Average mass173.092 Da
  • Monoisotopic mass173.008850 Da
  • ChemSpider ID61779088

More details:

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

3,4,5-Trifluor-2-hydroxybenzonitril [German] [ACD/IUPAC Name]
3,4,5-Trifluoro-2-hydroxybenzonitrile [ACD/IUPAC Name]
3,4,5-Trifluoro-2-hydroxybenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3,4,5-trifluoro-2-hydroxy- [ACD/Index Name]
1891204-68-4 [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: 247.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.4±3.0 kJ/mol
Flash Point: 103.3±27.3 °C
Index of Refraction: 1.505
Molar Refractivity: 33.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 6.14
ACD/KOC (pH 5.5): 82.84
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.59
Polar Surface Area: 44 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 111.8±5.0 cm3

Click to predict properties on the Chemicalize site


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