ChemSpider 2D Image | 4-Methoxyphenyl sulfurisocyanatidate | C8H7NO5S

4-Methoxyphenyl sulfurisocyanatidate

  • Molecular FormulaC8H7NO5S
  • Average mass229.210 Da
  • Monoisotopic mass229.004486 Da
  • ChemSpider ID35806707

More details:

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

4-Methoxyphenyl sulfurisocyanatidate [ACD/IUPAC Name]
4-Methoxyphenylschwefelisocyanatidat [German] [ACD/IUPAC Name]
Isocyanatosulfuric acid (HSO3), 4-methoxyphenyl ester [ACD/Index Name]
Soufreisocyanatidate de 4-méthoxyphényle [French] [ACD/IUPAC Name]
14754-47-3 [RN]
ISOCYANATOSULFURIC ACID, 4-METHOXYPHENYL ESTER

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

Density: 1.4±0.1 g/cm3
Boiling Point: 356.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 169.6±28.4 °C
Index of Refraction: 1.548
Molar Refractivity: 53.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.89
ACD/KOC (pH 5.5): 386.52
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.89
ACD/KOC (pH 7.4): 386.52
Polar Surface Area: 90 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 167.3±7.0 cm3

Click to predict properties on the Chemicalize site


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