ChemSpider 2D Image | 1,2,4,6-Tetroxepane | C3H6O4

1,2,4,6-Tetroxepane

  • Molecular FormulaC3H6O4
  • Average mass106.077 Da
  • Monoisotopic mass106.026611 Da
  • ChemSpider ID62992865

More details:






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

1,2,4,6-Tetroxepan [German] [ACD/IUPAC Name]
1,2,4,6-Tetroxepane [ACD/IUPAC Name] [ACD/Index Name]
1,2,4,6-Tétroxépane [French] [ACD/IUPAC Name]
15646-36-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 109.2±33.0 °C at 760 mmHg
Vapour Pressure: 29.4±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.4±3.0 kJ/mol
Flash Point: 18.7±25.3 °C
Index of Refraction: 1.376
Molar Refractivity: 20.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.76
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.76
Polar Surface Area: 37 Å2
Polarizability: 8.0±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 88.4±3.0 cm3

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