Aspirin-d4 C9H4D4O4 structure – Flashcards

Flashcard maker : Sean Hill

Molecular Formula C9H4D4O4
Average mass 184.182 Da
Density 1.3±0.1 g/cm3
Boiling Point 321.4±25.0 °C at 760 mmHg
Flash Point 131.2±16.7 °C
Molar Refractivity 44.5±0.3 cm3
Polarizability 17.7±0.5 10-24cm3
Surface Tension 49.9±3.0 dyne/cm
Molar Volume 139.6±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      119-1320 °C LabNetwork LN01263558

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 321.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 131.2±16.7 °C
Index of Refraction: 1.551
Molar Refractivity: 44.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 139.6±3.0 cm3

Click to predict properties on the Chemicalize site

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