ChemSpider 2D Image | 2H-pyran-2-one, 6-[(1E)-1-heptenyl]-5,6-dihydro- | C12H18O2

2H-pyran-2-one, 6-[(1E)-1-heptenyl]-5,6-dihydro-

  • Molecular FormulaC12H18O2
  • Average mass194.270 Da
  • Monoisotopic mass194.130676 Da
  • ChemSpider ID20057806

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyran-2-one, 6-[(1E)-1-hepten-1-yl]-5,6-dihydro- [ACD/Index Name]
2H-pyran-2-one, 6-[(1E)-1-heptenyl]-5,6-dihydro-
6-[(1E)-1-Hepten-1-yl]-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-[(1E)-1-Hepten-1-yl]-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
6-[(1E)-1-Heptén-1-yl]-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
6-[(1E)-Hept-1-en-1-yl]-5,6-dihydro-2H-pyran-2-one
6-(HEPT-1-EN-1-YL)-5,6-DIHYDROPYRAN-2-ONE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 321.1±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.3±3.0 kJ/mol
Flash Point: 132.3±25.0 °C
Index of Refraction: 1.533
Molar Refractivity: 58.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 270.10
ACD/KOC (pH 5.5): 1914.67
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 270.10
ACD/KOC (pH 7.4): 1914.67
Polar Surface Area: 26 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 189.2±3.0 cm3

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