ChemSpider 2D Image | (E)-1-Hydroperoxy-2-methoxyethenol | C3H6O4

(E)-1-Hydroperoxy-2-methoxyethenol

  • Molecular FormulaC3H6O4
  • Average mass106.077 Da
  • Monoisotopic mass106.026611 Da
  • ChemSpider ID95616012

More details:






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

(E)-1-Hydroperoxy-2-methoxyethenol [German] [ACD/IUPAC Name]
(E)-1-Hydroperoxy-2-methoxyethenol [ACD/IUPAC Name]
(E)-1-Hydroperoxy-2-méthoxyéthénol [French] [ACD/IUPAC Name]
Ethenol, 1-hydroperoxy-2-methoxy-, (E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 280.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.2±6.0 kJ/mol
Flash Point: 123.2±27.3 °C
Index of Refraction: 1.478
Molar Refractivity: 22.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.50
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.37
Polar Surface Area: 59 Å2
Polarizability: 8.9±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 79.2±3.0 cm3

Click to predict properties on the Chemicalize site






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