ChemSpider 2D Image | Methyl 3,3-difluorobutanoate | C5H8F2O2

Methyl 3,3-difluorobutanoate

  • Molecular FormulaC5H8F2O2
  • Average mass138.113 Da
  • Monoisotopic mass138.049240 Da
  • ChemSpider ID35328686

More details:

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

3,3-Difluorobutanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3,3-difluoro-, methyl ester [ACD/Index Name]
Methyl 3,3-difluorobutanoate [ACD/IUPAC Name]
Methyl-3,3-difluorbutanoat [German] [ACD/IUPAC Name]
1447671-66-0 [RN]
Methyl 3,3-difluorobutyrate
MFCD24386130

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

Density: 1.1±0.1 g/cm3
Boiling Point: 110.9±25.0 °C at 760 mmHg
Vapour Pressure: 23.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.0±3.0 kJ/mol
Flash Point: 21.3±18.1 °C
Index of Refraction: 1.354
Molar Refractivity: 27.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.87
ACD/KOC (pH 5.5): 108.08
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.87
ACD/KOC (pH 7.4): 108.08
Polar Surface Area: 26 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 21.4±3.0 dyne/cm
Molar Volume: 125.5±3.0 cm3

Click to predict properties on the Chemicalize site


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