ChemSpider 2D Image | 1-(Chloromethyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane | C7H11ClO3

1-(Chloromethyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane

  • Molecular FormulaC7H11ClO3
  • Average mass178.613 Da
  • Monoisotopic mass178.039673 Da
  • ChemSpider ID110568764

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(Chlormethyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octan [German] [ACD/IUPAC Name]
1-(Chloromethyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane [ACD/IUPAC Name]
1-(Chlorométhyl)-4-méthyl-2,6,7-trioxabicyclo[2.2.2]octane [French] [ACD/IUPAC Name]
2,6,7-Trioxabicyclo[2.2.2]octane, 1-(chloromethyl)-4-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 204.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.2±3.0 kJ/mol
Flash Point: 75.8±26.0 °C
Index of Refraction: 1.491
Molar Refractivity: 40.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.14
ACD/KOC (pH 5.5): 96.25
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.14
ACD/KOC (pH 7.4): 96.25
Polar Surface Area: 28 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 138.0±3.0 cm3

Click to predict properties on the Chemicalize site


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