ChemSpider 2D Image | Allyl sulfurisocyanatidate | C4H5NO4S

Allyl sulfurisocyanatidate

  • Molecular FormulaC4H5NO4S
  • Average mass163.152 Da
  • Monoisotopic mass162.993927 Da
  • ChemSpider ID62999882

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Allyl sulfurisocyanatidate [ACD/IUPAC Name]
Allylschwefelisocyanatidat [German] [ACD/IUPAC Name]
Isocyanatosulfuric acid (HSO3), 2-propen-1-yl ester [ACD/Index Name]
Soufreisocyanatidate d'allyle [French] [ACD/IUPAC Name]
25290-12-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 227.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.5±3.0 kJ/mol
Flash Point: 91.5±25.4 °C
Index of Refraction: 1.487
Molar Refractivity: 35.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.07
ACD/KOC (pH 5.5): 141.06
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.07
ACD/KOC (pH 7.4): 141.06
Polar Surface Area: 81 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 124.7±7.0 cm3

Click to predict properties on the Chemicalize site


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