ChemSpider 2D Image | (3E)-2,5-Dioxo-3-hexenedioic acid | C6H4O6

(3E)-2,5-Dioxo-3-hexenedioic acid

  • Molecular FormulaC6H4O6
  • Average mass172.092 Da
  • Monoisotopic mass172.000793 Da
  • ChemSpider ID67492201

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-2,5-Dioxo-3-hexendisäure [German] [ACD/IUPAC Name]
(3E)-2,5-Dioxo-3-hexenedioic acid [ACD/IUPAC Name]
3-Hexenedioic acid, 2,5-dioxo-, (3E)- [ACD/Index Name]
Acide (3E)-2,5-dioxo-3-hexènedioïque [French] [ACD/IUPAC Name]
2,5-dioxo-3-hexenedioic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 325.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.4±6.0 kJ/mol
Flash Point: 165.1±23.3 °C
Index of Refraction: 1.545
Molar Refractivity: 33.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -6.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 78.7±3.0 dyne/cm
Molar Volume: 104.7±3.0 cm3

Click to predict properties on the Chemicalize site


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