ChemSpider 2D Image | 3-(3,3,3-Trifluoro-1-propyn-1-yl)-2(5H)-furanone | C7H3F3O2

3-(3,3,3-Trifluoro-1-propyn-1-yl)-2(5H)-furanone

  • Molecular FormulaC7H3F3O2
  • Average mass176.093 Da
  • Monoisotopic mass176.008514 Da
  • ChemSpider ID91042563

More details:

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

2(5H)-Furanone, 3-(3,3,3-trifluoro-1-propyn-1-yl)- [ACD/Index Name]
3-(3,3,3-Trifluor-1-propin-1-yl)-2(5H)-furanon [German] [ACD/IUPAC Name]
3-(3,3,3-Trifluoro-1-propyn-1-yl)-2(5H)-furanone [ACD/IUPAC Name]
3-(3,3,3-Trifluoro-1-propyn-1-yl)-2(5H)-furanone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 222.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.9±3.0 kJ/mol
Flash Point: 105.9±19.6 °C
Index of Refraction: 1.443
Molar Refractivity: 32.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.05
ACD/KOC (pH 5.5): 218.92
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.05
ACD/KOC (pH 7.4): 218.92
Polar Surface Area: 26 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 32.6±5.0 dyne/cm
Molar Volume: 121.9±5.0 cm3

Click to predict properties on the Chemicalize site


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