ChemSpider 2D Image | PS-210 | C19H15F3O5

PS-210

  • Molecular FormulaC19H15F3O5
  • Average mass380.315 Da
  • Monoisotopic mass380.087158 Da
  • ChemSpider ID28663109

More details:

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

{3-Oxo-1-phenyl-3-[4-(trifluormethyl)phenyl]propyl}malonsäure [German] [ACD/IUPAC Name]
{3-Oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}malonic acid [ACD/IUPAC Name]
1221962-86-2 [RN]
2-{3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid
Acide {3-oxo-1-phényl-3-[4-(trifluorométhyl)phényl]propyl}malonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]- [ACD/Index Name]
PS-210
2-[3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]propanedioic acid
2-[3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]-propanedioic acid
PS210

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

Density: 1.4±0.1 g/cm3
Boiling Point: 577.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.3±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 87.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.55
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 271.6±3.0 cm3

Click to predict properties on the Chemicalize site


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