Found 87 results

Search term: MF = 'C_{13}H_{9}F_{5}N_{2}O_{2}'
ChemSpider 2D Image | 2,2,2-Trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethyl 3,4-difluorobenzoate | C13H9F5N2O2

2,2,2-Trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethyl 3,4-difluorobenzoate

  • Molecular FormulaC13H9F5N2O2
  • Average mass320.215 Da
  • Monoisotopic mass320.058411 Da
  • ChemSpider ID30216724

More details:

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

2,2,2-Trifluor-1-(1-methyl-1H-pyrazol-4-yl)ethyl-3,4-difluorbenzoat [German] [ACD/IUPAC Name]
2,2,2-Trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethyl 3,4-difluorobenzoate [ACD/IUPAC Name]
3,4-Difluorobenzoate de 2,2,2-trifluoro-1-(1-méthyl-1H-pyrazol-4-yl)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-difluoro-, 2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 347.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 163.9±27.9 °C
Index of Refraction: 1.506
Molar Refractivity: 66.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.55
ACD/KOC (pH 5.5): 1187.30
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.55
ACD/KOC (pH 7.4): 1187.31
Polar Surface Area: 44 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 32.7±7.0 dyne/cm
Molar Volume: 223.2±7.0 cm3

Click to predict properties on the Chemicalize site


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