ChemSpider 2D Image | Isobutyl 2,2-bis(trifluoromethyl)butanoate | C10H14F6O2

Isobutyl 2,2-bis(trifluoromethyl)butanoate

  • Molecular FormulaC10H14F6O2
  • Average mass280.207 Da
  • Monoisotopic mass280.089813 Da
  • ChemSpider ID24779294

More details:

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

2,2-Bis(trifluorométhyl)butanoate d'isobutyle [French] [ACD/IUPAC Name]
Butanoic acid, 2,2-bis(trifluoromethyl)-, 2-methylpropyl ester [ACD/Index Name]
Isobutyl 2,2-bis(trifluoromethyl)butanoate [ACD/IUPAC Name]
Isobutyl-2,2-bis(trifluormethyl)butanoat [German] [ACD/IUPAC 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: 202.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.9±3.0 kJ/mol
Flash Point: 54.6±26.6 °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: 3.96
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 303.24
ACD/KOC (pH 5.5): 2080.03
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 303.24
ACD/KOC (pH 7.4): 2080.03
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


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