ChemSpider 2D Image | 3,5-Dioxohexanenitrile | C6H7NO2

3,5-Dioxohexanenitrile

  • Molecular FormulaC6H7NO2
  • Average mass125.125 Da
  • Monoisotopic mass125.047676 Da
  • ChemSpider ID24192011

More details:

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

115706-49-5 [RN]
3,5-Dioxohexanenitrile [ACD/IUPAC Name]
3,5-Dioxohexanenitrile [French] [ACD/IUPAC Name]
3,5-Dioxohexannitril [German] [ACD/IUPAC Name]
Hexanenitrile, 3,5-dioxo- [ACD/Index Name]
Hexanenitrile, 3,5-dioxo- (9CI)
HEXANENITRILE,3,5-DIOXO-
MFCD24707091

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

Density: 1.1±0.1 g/cm3
Boiling Point: 217.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.3±3.0 kJ/mol
Flash Point: 85.1±20.4 °C
Index of Refraction: 1.431
Molar Refractivity: 29.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 37.50
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.05
Polar Surface Area: 58 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 115.2±3.0 cm3

Click to predict properties on the Chemicalize site


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