ChemSpider 2D Image | 3-(Difluoromethyl)-4,4,4-trifluorobutanoic acid | C5H5F5O2

3-(Difluoromethyl)-4,4,4-trifluorobutanoic acid

  • Molecular FormulaC5H5F5O2
  • Average mass192.084 Da
  • Monoisotopic mass192.020966 Da
  • ChemSpider ID65716441

More details:

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

3-(Difluormethyl)-4,4,4-trifluorbutansäure [German] [ACD/IUPAC Name]
3-(Difluoromethyl)-4,4,4-trifluorobutanoic acid [ACD/IUPAC Name]
Acide 3-(difluorométhyl)-4,4,4-trifluorobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-(difluoromethyl)-4,4,4-trifluoro- [ACD/Index Name]
1897795-98-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 171.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.7 mmHg at 25°C
Enthalpy of Vaporization: 45.0±6.0 kJ/mol
Flash Point: 57.4±25.9 °C
Index of Refraction: 1.333
Molar Refractivity: 27.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 10.9±0.5 10-24cm3
Surface Tension: 22.2±3.0 dyne/cm
Molar Volume: 133.7±3.0 cm3

Click to predict properties on the Chemicalize site


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