ChemSpider 2D Image | 4-(Nitrooxy)butyl 4-sulfamoylbenzoate | C11H14N2O7S

4-(Nitrooxy)butyl 4-sulfamoylbenzoate

  • Molecular FormulaC11H14N2O7S
  • Average mass318.303 Da
  • Monoisotopic mass318.052185 Da
  • ChemSpider ID26338817

More details:

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

4-(Nitrooxy)butyl 4-sulfamoylbenzoate [ACD/IUPAC Name]
4-(Nitrooxy)butyl-4-sulfamoylbenzoat [German] [ACD/IUPAC Name]
4-Sulfamoylbenzoate de 4-(nitrooxy)butyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(aminosulfonyl)-, 4-(nitrooxy)butyl ester [ACD/Index Name]
1033596-66-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 517.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 266.6±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 72.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 21.01
ACD/KOC (pH 5.5): 307.77
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.91
ACD/KOC (pH 7.4): 306.33
Polar Surface Area: 150 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 224.9±3.0 cm3

Click to predict properties on the Chemicalize site


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