ChemSpider 2D Image | 3-Oxo-1-[3-(trifluoromethyl)phenyl]cyclobutanecarboxylic acid | C12H9F3O3

3-Oxo-1-[3-(trifluoromethyl)phenyl]cyclobutanecarboxylic acid

  • Molecular FormulaC12H9F3O3
  • Average mass258.193 Da
  • Monoisotopic mass258.050385 Da
  • ChemSpider ID45807978

More details:

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

3-Oxo-1-[3-(trifluormethyl)phenyl]cyclobutancarbonsäure [German] [ACD/IUPAC Name]
3-Oxo-1-[3-(trifluoromethyl)phenyl]cyclobutanecarboxylic acid [ACD/IUPAC Name]
Acide 3-oxo-1-[3-(trifluorométhyl)phényl]cyclobutanecarboxylique [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 3-oxo-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
1478112-02-5 [RN]
3-oxo-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
MFCD20124445

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

Density: 1.5±0.1 g/cm3
Boiling Point: 356.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 169.6±27.9 °C
Index of Refraction: 1.526
Molar Refractivity: 54.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 175.9±3.0 cm3

Click to predict properties on the Chemicalize site


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