Glycerol phenylbutyrate C33H38O6 structure

C33H38O6 structure
Molecular Formula C33H38O6
Average mass 530.651 Da
Density 1.1±0.1 g/cm3
Boiling Point 621.2±45.0 °C at 760 mmHg
Flash Point 258.2±28.8 °C
Molar Refractivity 150.3±0.3 cm3
Polarizability 59.6±0.5 10-24cm3
Surface Tension 45.3±3.0 dyne/cm
Molar Volume 469.1±3.0 cm3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 621.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 258.2±28.8 °C
Index of Refraction: 1.554
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 7.54
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 96256.89
ACD/KOC (pH 5.5): 128445.77
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 96256.89
ACD/KOC (pH 7.4): 128445.77
Polar Surface Area: 79 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 469.1±3.0 cm3

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