Benzonatate C30H53NO11 structure

C30H53NO11 structure
Molecular Formula C30H53NO11
Average mass 603.742 Da
Density 1.1±0.1 g/cm3
Boiling Point 649.0±55.0 °C at 760 mmHg
Flash Point 346.3±31.5 °C
Molar Refractivity 160.6±0.3 cm3
Polarizability 63.7±0.5 10-24cm3
Surface Tension 39.8±3.0 dyne/cm
Molar Volume 550.7±3.0 cm3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 649.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.3±31.5 °C
Index of Refraction: 1.495
Molar Refractivity: 160.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.06
ACD/KOC (pH 5.5): 141.01
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.07
ACD/KOC (pH 7.4): 141.09
Polar Surface Area: 121 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 550.7±3.0 cm3

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