ChemSpider 2D Image | 1-Ethynyl-3-{[4-(trifluoromethyl)benzyl]oxy}benzene | C16H11F3O

1-Ethynyl-3-{[4-(trifluoromethyl)benzyl]oxy}benzene

  • Molecular FormulaC16H11F3O
  • Average mass276.253 Da
  • Monoisotopic mass276.076202 Da
  • ChemSpider ID26549483

More details:

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

1-(3-Ethynyl-phenoxymethyl)-4-trifluoromethyl-benzene
1-Ethinyl-3-{[4-(trifluormethyl)benzyl]oxy}benzol [German] [ACD/IUPAC Name]
1-Ethynyl-3-{[4-(trifluoromethyl)benzyl]oxy}benzene [ACD/IUPAC Name]
1-Éthynyl-3-{[4-(trifluorométhyl)benzyl]oxy}benzène [French] [ACD/IUPAC Name]
1-ETHYNYL-3-{[4-(TRIFLUOROMETHYL)PHENYL]METHOXY}BENZENE
3-Ethynyl-1-(4-trifluoromethylbenzyl)oxy-benzene
Benzene, 1-ethynyl-3-[[4-(trifluoromethyl)phenyl]methoxy]- [ACD/Index Name]
MFCD15525136

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

Density: 1.2±0.1 g/cm3
Boiling Point: 344.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 170.2±23.8 °C
Index of Refraction: 1.542
Molar Refractivity: 69.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1668.27
ACD/KOC (pH 5.5): 7048.48
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1668.27
ACD/KOC (pH 7.4): 7048.48
Polar Surface Area: 9 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 221.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement