ChemSpider 2D Image | 1-Propene-1,1,2,3-tetrol | C3H6O4

1-Propene-1,1,2,3-tetrol

  • Molecular FormulaC3H6O4
  • Average mass106.077 Da
  • Monoisotopic mass106.026611 Da
  • ChemSpider ID95791766

More details:






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

1-Propen-1,1,2,3-tetrol [German] [ACD/IUPAC Name]
1-Propene-1,1,2,3-tetrol [ACD/Index Name] [ACD/IUPAC Name]
1-Propène-1,1,2,3-tétrol [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 571.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.4±6.0 kJ/mol
Flash Point: 310.6±24.7 °C
Index of Refraction: 1.631
Molar Refractivity: 21.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.30
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.30
Polar Surface Area: 81 Å2
Polarizability: 8.7±0.5 10-24cm3
Surface Tension: 108.9±3.0 dyne/cm
Molar Volume: 61.3±3.0 cm3

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