ChemSpider 2D Image | 9-[3-(3H-Diaziren-3-yl)phenoxy]nonanoic acid | C16H22N2O3

9-[3-(3H-Diaziren-3-yl)phenoxy]nonanoic acid

  • Molecular FormulaC16H22N2O3
  • Average mass290.358 Da
  • Monoisotopic mass290.163055 Da
  • ChemSpider ID28708333

More details:

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

9-[3-(3H-Diaziren-3-yl)phenoxy]nonanoic acid [ACD/IUPAC Name]
9-[3-(3H-Diaziren-3-yl)phenoxy]nonansäure [German] [ACD/IUPAC Name]
Acide 9-[3-(3H-diazirén-3-yl)phénoxy]nonanoïque [French] [ACD/IUPAC Name]
Nonanoic acid, 9-[3-(3H-diazirin-3-yl)phenoxy]- [ACD/Index Name]
91453-14-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 463.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 234.3±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 80.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 78.97
ACD/KOC (pH 5.5): 470.92
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 7.55
Polar Surface Area: 71 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 243.7±7.0 cm3

Click to predict properties on the Chemicalize site


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