ChemSpider 2D Image | 3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propaneperoxoic acid | C11H9NO5

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

  • Molecular FormulaC11H9NO5
  • Average mass235.193 Da
  • Monoisotopic mass235.048065 Da
  • ChemSpider ID14003375

More details:

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

2H-Isoindole-2-propaneperoxoic acid, 1,3-dihydro-1,3-dioxo- [ACD/Index Name]
3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propaneperoxoic acid [ACD/IUPAC Name]
3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanperoxosäure [German] [ACD/IUPAC Name]
Acide 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propaneperoxoïque [French] [ACD/IUPAC Name]
5880-39-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 424.8±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 210.7±29.3 °C
Index of Refraction: 1.614
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.42
ACD/KOC (pH 5.5): 116.44
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 3.68
ACD/KOC (pH 7.4): 79.03
Polar Surface Area: 84 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 157.6±3.0 cm3

Click to predict properties on the Chemicalize site


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