Found 87 results

Search term: MF = 'C_{13}H_{9}F_{5}N_{2}O_{2}'
ChemSpider 2D Image | 1-Methyl-3-[4-(pentafluoroethyl)phenyl]-1H-pyrazole-5-carboxylic acid | C13H9F5N2O2

1-Methyl-3-[4-(pentafluoroethyl)phenyl]-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC13H9F5N2O2
  • Average mass320.215 Da
  • Monoisotopic mass320.058411 Da
  • ChemSpider ID98088584

More details:

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

1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]- [ACD/Index Name]
1-Methyl-3-[4-(pentafluorethyl)phenyl]-1H-pyrazol-5-carbonsäure [German] [ACD/IUPAC Name]
1-Methyl-3-[4-(pentafluoroethyl)phenyl]-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 1-méthyl-3-[4-(pentafluoroéthyl)phényl]-1H-pyrazole-5-carboxylique [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: 389.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 189.4±27.9 °C
Index of Refraction: 1.517
Molar Refractivity: 66.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.89
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.40
Polar Surface Area: 55 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 35.4±7.0 dyne/cm
Molar Volume: 219.3±7.0 cm3

Click to predict properties on the Chemicalize site


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