ChemSpider 2D Image | 5-Nitroxystearic acid | C18H35NO5

5-Nitroxystearic acid

  • Molecular FormulaC18H35NO5
  • Average mass345.474 Da
  • Monoisotopic mass345.251526 Da
  • ChemSpider ID20480309

More details:

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

5-(Nitrooxy)octadecanoic acid [ACD/IUPAC Name]
5-(Nitrooxy)octadecansäure [German] [ACD/IUPAC Name]
5-Nitroxystearic acid
Acide 5-(nitrooxy)octadécanoïque [French] [ACD/IUPAC Name]
Octadecanoic acid, 5-(nitrooxy)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 462.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 233.4±24.0 °C
Index of Refraction: 1.470
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 48554.15
ACD/KOC (pH 5.5): 41990.85
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 762.99
ACD/KOC (pH 7.4): 659.85
Polar Surface Area: 92 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 339.8±3.0 cm3

Click to predict properties on the Chemicalize site


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