ChemSpider 2D Image | 4-Cyanophenyl 4-benzoylbenzoate | C21H13NO3

4-Cyanophenyl 4-benzoylbenzoate

  • Molecular FormulaC21H13NO3
  • Average mass327.333 Da
  • Monoisotopic mass327.089539 Da
  • ChemSpider ID30643607

More details:

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

4-Benzoylbenzoate de 4-cyanophényle [French] [ACD/IUPAC Name]
4-Cyanophenyl 4-benzoylbenzoate [ACD/IUPAC Name]
4-Cyanphenyl-4-benzoylbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-benzoyl-, 4-cyanophenyl 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: 536.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 231.4±16.2 °C
Index of Refraction: 1.651
Molar Refractivity: 92.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1170.38
ACD/KOC (pH 5.5): 5468.99
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1170.38
ACD/KOC (pH 7.4): 5468.99
Polar Surface Area: 67 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 251.9±5.0 cm3

Click to predict properties on the Chemicalize site


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