ChemSpider 2D Image | Diethyl [1-(1-cyclobutylethyl)-3-cyclopropyl-1H-pyrazol-4-yl]phosphonate | C16H27N2O3P

Diethyl [1-(1-cyclobutylethyl)-3-cyclopropyl-1H-pyrazol-4-yl]phosphonate

  • Molecular FormulaC16H27N2O3P
  • Average mass326.371 Da
  • Monoisotopic mass326.175934 Da
  • ChemSpider ID122720824

More details:

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

[1-(1-Cyclobutyléthyl)-3-cyclopropyl-1H-pyrazol-4-yl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [1-(1-cyclobutylethyl)-3-cyclopropyl-1H-pyrazol-4-yl]phosphonate [ACD/IUPAC Name]
Diethyl-[1-(1-cyclobutylethyl)-3-cyclopropyl-1H-pyrazol-4-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[1-(1-cyclobutylethyl)-3-cyclopropyl-1H-pyrazol-4-yl]-, diethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 424.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 210.7±25.4 °C
Index of Refraction: 1.606
Molar Refractivity: 85.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.16
ACD/KOC (pH 5.5): 845.10
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.16
ACD/KOC (pH 7.4): 845.10
Polar Surface Area: 63 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 248.2±7.0 cm3

Click to predict properties on the Chemicalize site


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