ChemSpider 2D Image | (1S,6S)-7-Oxabicyclo[4.1.0]heptan-2-one | C6H8O2

(1S,6S)-7-Oxabicyclo[4.1.0]heptan-2-one

  • Molecular FormulaC6H8O2
  • Average mass112.127 Da
  • Monoisotopic mass112.052429 Da
  • ChemSpider ID32786826

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,6S)-7-Oxabicyclo[4.1.0]heptan-2-on [German] [ACD/IUPAC Name]
(1S,6S)-7-Oxabicyclo[4.1.0]heptan-2-one [ACD/IUPAC Name]
(1S,6S)-7-Oxabicyclo[4.1.0]heptan-2-one [French] [ACD/IUPAC Name]
7-Oxabicyclo[4.1.0]heptan-2-one, (1S,6S)- [ACD/Index Name]
72029-30-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 204.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.1±3.0 kJ/mol
Flash Point: 91.4±16.2 °C
Index of Refraction: 1.504
Molar Refractivity: 27.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.54
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.54
Polar Surface Area: 30 Å2
Polarizability: 10.9±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 92.8±3.0 cm3

Click to predict properties on the Chemicalize site


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