ChemSpider 2D Image | Ethyl 4-formyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylate | C9H9F3N2O3

Ethyl 4-formyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylate

  • Molecular FormulaC9H9F3N2O3
  • Average mass250.175 Da
  • Monoisotopic mass250.056534 Da
  • ChemSpider ID94289000

More details:

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

1H-Pyrazole-3-carboxylic acid, 4-formyl-1-(2,2,2-trifluoroethyl)-, ethyl ester [ACD/Index Name]
4-Formyl-1-(2,2,2-trifluoroéthyl)-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-formyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-formyl-1-(2,2,2-trifluorethyl)-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
MFCD32711567

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

Density: 1.4±0.1 g/cm3
Boiling Point: 321.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 148.4±27.9 °C
Index of Refraction: 1.488
Molar Refractivity: 51.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.67
ACD/KOC (pH 5.5): 120.58
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 120.58
Polar Surface Area: 61 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 36.4±7.0 dyne/cm
Molar Volume: 178.8±7.0 cm3

Click to predict properties on the Chemicalize site


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