ChemSpider 2D Image | 1,1,1-Trifluoro-6-methoxy-6-methyl-2-(trifluoromethyl)-3-heptanone | C10H14F6O2

1,1,1-Trifluoro-6-methoxy-6-methyl-2-(trifluoromethyl)-3-heptanone

  • Molecular FormulaC10H14F6O2
  • Average mass280.207 Da
  • Monoisotopic mass280.089813 Da
  • ChemSpider ID52921479

More details:

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

1,1,1-Trifluor-6-methoxy-6-methyl-2-(trifluormethyl)-3-heptanon [German] [ACD/IUPAC Name]
1,1,1-Trifluoro-6-methoxy-6-methyl-2-(trifluoromethyl)-3-heptanone [ACD/IUPAC Name]
1,1,1-Trifluoro-6-méthoxy-6-méthyl-2-(trifluorométhyl)-3-heptanone [French] [ACD/IUPAC Name]
3-Heptanone, 1,1,1-trifluoro-6-methoxy-6-methyl-2-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 195.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.2±3.0 kJ/mol
Flash Point: 70.3±22.2 °C
Index of Refraction: 1.361
Molar Refractivity: 51.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.92
ACD/KOC (pH 5.5): 2063.68
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.92
ACD/KOC (pH 7.4): 2063.68
Polar Surface Area: 26 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 21.2±3.0 dyne/cm
Molar Volume: 230.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement