5,5‘-Dithiobis(succinimidyl-2-nitrobenzoate) C22H14N4O12S2 structure – Flashcards

Flashcard maker : Patricia Harrah

Molecular Formula C22H14N4O12S2
Average mass 590.496 Da
Density 1.8±0.1 g/cm3
Boiling Point 786.2±70.0 °C at 760 mmHg
Flash Point 429.3±35.7 °C
Molar Refractivity 133.7±0.4 cm3
Polarizability 53.0±0.5 10-24cm3
Surface Tension 105.7±5.0 dyne/cm
Molar Volume 330.2±5.0 cm3
  • Predicted – ACD/Labs
  • Predicted – ChemAxon

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

Density: 1.8±0.1 g/cm3
Boiling Point: 786.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 429.3±35.7 °C
Index of Refraction: 1.744
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.26
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.30
ACD/KOC (pH 5.5): 114.84
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.30
ACD/KOC (pH 7.4): 114.84
Polar Surface Area: 270 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 105.7±5.0 dyne/cm
Molar Volume: 330.2±5.0 cm3

Click to predict properties on the Chemicalize site

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