ChemSpider 2D Image | 3-(1,1,3,3,3-Pentafluoro-1-propen-2-yl)benzoic acid | C10H5F5O2

3-(1,1,3,3,3-Pentafluoro-1-propen-2-yl)benzoic acid

  • Molecular FormulaC10H5F5O2
  • Average mass252.137 Da
  • Monoisotopic mass252.020966 Da
  • ChemSpider ID35774401

More details:

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

3-(1,1,3,3,3-Pentafluor-1-propen-2-yl)benzoesäure [German] [ACD/IUPAC Name]
3-(1,1,3,3,3-Pentafluoro-1-propen-2-yl)benzoic acid [ACD/IUPAC Name]
Acide 3-(1,1,3,3,3-pentafluoro-1-propén-2-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2,2-difluoro-1-(trifluoromethyl)ethenyl]- [ACD/Index Name]
3-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)benzoic acid
61587-28-8 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 285.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.4±3.0 kJ/mol
Flash Point: 126.5±27.3 °C
Index of Refraction: 1.470
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 6.84
ACD/KOC (pH 5.5): 55.55
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.68
Polar Surface Area: 37 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 173.4±3.0 cm3

Click to predict properties on the Chemicalize site


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