ChemSpider 2D Image | 4-Ethynyl-3-(trifluoromethyl)aniline | C9H6F3N

4-Ethynyl-3-(trifluoromethyl)aniline

  • Molecular FormulaC9H6F3N
  • Average mass185.146 Da
  • Monoisotopic mass185.045227 Da
  • ChemSpider ID30854793

More details:

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

4-Ethinyl-3-(trifluormethyl)anilin [German] [ACD/IUPAC Name]
4-Ethynyl-3-(trifluoromethyl)aniline [ACD/IUPAC Name]
4-Éthynyl-3-(trifluorométhyl)aniline [French] [ACD/IUPAC Name]
Benzenamine, 4-ethynyl-3-(trifluoromethyl)- [ACD/Index Name]
1260677-91-5 [RN]
MFCD11036456

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

Density: 1.3±0.1 g/cm3
Boiling Point: 237.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.5±3.0 kJ/mol
Flash Point: 102.0±20.1 °C
Index of Refraction: 1.504
Molar Refractivity: 42.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.06
ACD/KOC (pH 5.5): 470.81
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.06
ACD/KOC (pH 7.4): 470.92
Polar Surface Area: 26 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 36.9±5.0 dyne/cm
Molar Volume: 143.3±5.0 cm3

Click to predict properties on the Chemicalize site


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