Bromophenol Blue C19H10Br4O5S structure

C19H10Br4O5S structure
Molecular Formula C19H10Br4O5S
Average mass 669.961 Da
Density 2.2±0.1 g/cm3
Boiling Point 605.6±55.0 °C at 760 mmHg
Flash Point 320.1±31.5 °C
Molar Refractivity 123.3±0.4 cm3
Polarizability 48.9±0.5 10-24cm3
Surface Tension 74.2±3.0 dyne/cm
Molar Volume 304.5±3.0 cm3

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

Density: 2.2±0.1 g/cm3
Boiling Point: 605.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 320.1±31.5 °C
Index of Refraction: 1.744
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 435.48
ACD/KOC (pH 5.5): 670.26
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 4.30
ACD/KOC (pH 7.4): 6.63
Polar Surface Area: 92 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 74.2±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

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