3-[4-(2-Methyl-2-propanyl)phenyl]-2-propynal C13H14O structure – Flashcards

Flashcard maker : Ray Collins

Molecular Formula C13H14O
Average mass 186.250 Da
Density 1.0±0.1 g/cm3
Boiling Point 289.2±19.0 °C at 760 mmHg
Flash Point 107.7±18.5 °C
Molar Refractivity 57.5±0.4 cm3
Polarizability 22.8±0.5 10-24cm3
Surface Tension 39.3±5.0 dyne/cm
Molar Volume 185.6±5.0 cm3
  • Predicted – ACD/Labs
  • Predicted – ChemAxon

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

Density: 1.0±0.1 g/cm3
Boiling Point: 289.2±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 107.7±18.5 °C
Index of Refraction: 1.532
Molar Refractivity: 57.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 669.35
ACD/KOC (pH 5.5): 3666.12
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 669.35
ACD/KOC (pH 7.4): 3666.12
Polar Surface Area: 17 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 39.3±5.0 dyne/cm
Molar Volume: 185.6±5.0 cm3

Click to predict properties on the Chemicalize site

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