ChemSpider 2D Image | 4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butaneperoxoic acid | C12H11NO5

4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butaneperoxoic acid

  • Molecular FormulaC12H11NO5
  • Average mass249.219 Da
  • Monoisotopic mass249.063721 Da
  • ChemSpider ID13787175

More details:

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

2H-Isoindole-2-butaneperoxoic acid, 1,3-dihydro-1,3-dioxo- [ACD/Index Name]
4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butaneperoxoic acid [ACD/IUPAC Name]
4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanperoxosäure [German] [ACD/IUPAC Name]
Acide 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butaneperoxoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 437.3±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 218.3±29.3 °C
Index of Refraction: 1.600
Molar Refractivity: 59.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 8.02
ACD/KOC (pH 5.5): 154.20
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 5.90
ACD/KOC (pH 7.4): 113.52
Polar Surface Area: 84 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 174.2±3.0 cm3

Click to predict properties on the Chemicalize site


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