4-cyano-4-(ethylsulfanylthiocarbonylsulfanyl)pentanoic acid C9H13NO2S3 structure

Flashcard maker : Lily Taylor

Molecular Formula C9H13NO2S3
Average mass 263.400 Da
Density 1.3±0.1 g/cm3
Boiling Point 490.7±45.0 °C at 760 mmHg
Flash Point 250.6±28.7 °C
Molar Refractivity 68.5±0.3 cm3
Polarizability 27.1±0.5 10-24cm3
Surface Tension 65.4±3.0 dyne/cm
Molar Volume 198.1±3.0 cm3
  • Predicted – ACD/Labs
  • Predicted – ChemAxon

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

Density: 1.3±0.1 g/cm3
Boiling Point: 490.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 82.9±6.0 kJ/mol
Flash Point: 250.6±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 2.78
ACD/KOC (pH 5.5): 28.03
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 198.1±3.0 cm3

Click to predict properties on the Chemicalize site

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