ChemSpider 2D Image | 3-Chloro-4-[chloro(~2~H_2_)methyl]-1-[3-(trifluoromethyl)phenyl]-2-(4,5,5-~2~H_3_)pyrrolidinone | C12H5D5Cl2F3NO

3-Chloro-4-[chloro(2H2)methyl]-1-[3-(trifluoromethyl)phenyl]-2-(4,5,5-2H3)pyrrolidinone

  • Molecular FormulaC12H5D5Cl2F3NO
  • Average mass317.146 Da
  • Monoisotopic mass316.040527 Da
  • ChemSpider ID128917680

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Pyrrolidinone-4,5,5-d3, 3-chloro-4-(chloromethyl-d2)-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-Chlor-4-[chlor(2H2)methyl]-1-[3-(trifluormethyl)phenyl]-2-(4,5,5-2H3)pyrrolidinon [German] [ACD/IUPAC Name]
3-Chloro-4-[chloro(2H2)methyl]-1-[3-(trifluoromethyl)phenyl]-2-(4,5,5-2H3)pyrrolidinone [ACD/IUPAC Name]
3-Chloro-4-[chloro(2H2)méthyl]-1-[3-(trifluorométhyl)phényl]-2-(4,5,5-2H3)pyrrolidinone [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 453.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.2±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.79
ACD/KOC (pH 5.5): 1120.54
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.79
ACD/KOC (pH 7.4): 1120.54
Polar Surface Area: 20 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 213.0±5.0 cm3

Click to predict properties on the Chemicalize site


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