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ChemSpider 2D Image | 4-Phenylbutyl 4-cyano-1H-pyrazole-1-carboxylate | C15H15N3O2

4-Phenylbutyl 4-cyano-1H-pyrazole-1-carboxylate

  • Molecular FormulaC15H15N3O2
  • Average mass269.298 Da
  • Monoisotopic mass269.116425 Da
  • ChemSpider ID58109768

More details:

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

1H-Pyrazole-1-carboxylic acid, 4-cyano-, 4-phenylbutyl ester [ACD/Index Name]
4-Cyano-1H-pyrazole-1-carboxylate de 4-phénylbutyle [French] [ACD/IUPAC Name]
4-Phenylbutyl 4-cyano-1H-pyrazole-1-carboxylate [ACD/IUPAC Name]
4-Phenylbutyl-4-cyan-1H-pyrazol-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 455.8±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.4±29.3 °C
Index of Refraction: 1.581
Molar Refractivity: 77.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.51
ACD/KOC (pH 5.5): 526.67
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.51
ACD/KOC (pH 7.4): 526.67
Polar Surface Area: 68 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 233.1±7.0 cm3

Click to predict properties on the Chemicalize site


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