ChemSpider 2D Image | 2-[2-Nitro-3-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione | C14H10F3NO5

2-[2-Nitro-3-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione

  • Molecular FormulaC14H10F3NO5
  • Average mass329.228 Da
  • Monoisotopic mass329.051117 Da
  • ChemSpider ID65793426

More details:

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

1,3-Cyclohexanedione, 2-[2-nitro-3-(trifluoromethyl)benzoyl]- [ACD/Index Name]
2-[2-Nitro-3-(trifluormethyl)benzoyl]-1,3-cyclohexandion [German] [ACD/IUPAC Name]
2-[2-Nitro-3-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione [ACD/IUPAC Name]
2-[2-Nitro-3-(trifluorométhyl)benzoyl]-1,3-cyclohexanedione [French] [ACD/IUPAC Name]
2-(2-nitro-trifluoromethylbenzoyl) 1,3-cyclohexanedione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 472.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.6±28.7 °C
Index of Refraction: 1.535
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.15
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.64
Polar Surface Area: 97 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 221.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement