ChemSpider 2D Image | 3-Phenylpropyl 4-methyl-1H-pyrazole-1-carboxylate | C14H16N2O2

3-Phenylpropyl 4-methyl-1H-pyrazole-1-carboxylate

  • Molecular FormulaC14H16N2O2
  • Average mass244.289 Da
  • Monoisotopic mass244.121185 Da
  • ChemSpider ID58109776

More details:

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

1H-Pyrazole-1-carboxylic acid, 4-methyl-, 3-phenylpropyl ester [ACD/Index Name]
3-Phenylpropyl 4-methyl-1H-pyrazole-1-carboxylate [ACD/IUPAC Name]
3-Phenylpropyl-4-methyl-1H-pyrazol-1-carboxylat [German] [ACD/IUPAC Name]
4-Méthyl-1H-pyrazole-1-carboxylate de 3-phénylpropyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 387.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 188.2±28.7 °C
Index of Refraction: 1.561
Molar Refractivity: 71.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.96
ACD/KOC (pH 5.5): 878.56
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.96
ACD/KOC (pH 7.4): 878.56
Polar Surface Area: 44 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 219.4±7.0 cm3

Click to predict properties on the Chemicalize site


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