Found 2 results

Search term: MTXQFIBTASMPHS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (7R)-7-Allyl-2-oxepanone | C9H14O2

(7R)-7-Allyl-2-oxepanone

  • Molecular FormulaC9H14O2
  • Average mass154.206 Da
  • Monoisotopic mass154.099380 Da
  • ChemSpider ID74053097

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7R)-7-Allyl-2-oxepanon [German] [ACD/IUPAC Name]
(7R)-7-Allyl-2-oxepanone [ACD/IUPAC Name]
(7R)-7-Allyl-2-oxépanone [French] [ACD/IUPAC Name]
2-Oxepanone, 7-(2-propen-1-yl)-, (7R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 264.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.2±3.0 kJ/mol
Flash Point: 104.5±16.1 °C
Index of Refraction: 1.448
Molar Refractivity: 43.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.07
ACD/KOC (pH 5.5): 126.58
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.07
ACD/KOC (pH 7.4): 126.58
Polar Surface Area: 26 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 160.9±3.0 cm3

Click to predict properties on the Chemicalize site


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