D&C Red Dye 27 C20H4Br4Cl4O5 structure

C20H4Br4Cl4O5 structure
Molecular Formula C20H4Br4Cl4O5
Average mass 785.671 Da
Density 2.6±0.1 g/cm3
Boiling Point 759.0±60.0 °C at 760 mmHg
Flash Point 412.8±32.9 °C
Molar Refractivity 138.2±0.4 cm3
Polarizability 54.8±0.5 10-24cm3
Surface Tension 117.3±5.0 dyne/cm
Molar Volume 301.5±5.0 cm3

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

Density: 2.6±0.1 g/cm3
Boiling Point: 759.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 412.8±32.9 °C
Index of Refraction: 1.881
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 8.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1816922.75
ACD/LogD (pH 7.4): 8.14
ACD/BCF (pH 7.4): 552127.88
ACD/KOC (pH 7.4): 252240.02
Polar Surface Area: 76 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 117.3±5.0 dyne/cm
Molar Volume: 301.5±5.0 cm3

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