ChemSpider 2D Image | 1,1,1,4,4,4-Hexafluoro-3,3-bis(trifluoromethyl)-2-butanone | C6F12O

1,1,1,4,4,4-Hexafluoro-3,3-bis(trifluoromethyl)-2-butanone

  • Molecular FormulaC6F12O
  • Average mass316.044 Da
  • Monoisotopic mass315.975739 Da
  • ChemSpider ID28695756

More details:

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

1,1,1,4,4,4-Hexafluor-3,3-bis(trifluormethyl)-2-butanon [German] [ACD/IUPAC Name]
1,1,1,4,4,4-Hexafluoro-3,3-bis(trifluoromethyl)-2-butanone [ACD/IUPAC Name]
1,1,1,4,4,4-Hexafluoro-3,3-bis(trifluorométhyl)-2-butanone [French] [ACD/IUPAC Name]
2-Butanone, 1,1,1,4,4,4-hexafluoro-3,3-bis(trifluoromethyl)- [ACD/Index Name]
1,1,1,4,4,4-Hexafluoro-3,3-bis(trifluoromethyl)butan-2-one
88995-83-9 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 42.2±35.0 °C at 760 mmHg
Vapour Pressure: 395.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 28.6±3.0 kJ/mol
Flash Point: -0.1±20.1 °C
Index of Refraction: 1.264
Molar Refractivity: 31.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.10
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5147.73
ACD/KOC (pH 5.5): 15789.45
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5147.73
ACD/KOC (pH 7.4): 15789.45
Polar Surface Area: 17 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 13.6±3.0 dyne/cm
Molar Volume: 190.3±3.0 cm3

Click to predict properties on the Chemicalize site


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