ChemSpider 2D Image | 1-[(1S)-1,4-Dimethyl-3-cyclohexen-1-yl]ethanone | C10H16O

1-[(1S)-1,4-Dimethyl-3-cyclohexen-1-yl]ethanone

  • Molecular FormulaC10H16O
  • Average mass152.233 Da
  • Monoisotopic mass152.120117 Da
  • ChemSpider ID34994517

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(1S)-1,4-Dimethyl-3-cyclohexen-1-yl]ethanon [German] [ACD/IUPAC Name]
1-[(1S)-1,4-Dimethyl-3-cyclohexen-1-yl]ethanone [ACD/IUPAC Name]
1-[(1S)-1,4-Diméthyl-3-cyclohexén-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(1S)-1,4-dimethyl-3-cyclohexen-1-yl]- [ACD/Index Name]
1,4-Dimethyl-3-cyclohexenyl methyl ketone
256-150-4 [EINECS]
43219-68-7 [RN]
UNII-US73ACJ84D

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

Density: 0.9±0.1 g/cm3
Boiling Point: 205.2±29.0 °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: 72.8±19.2 °C
Index of Refraction: 1.459
Molar Refractivity: 45.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.34
ACD/KOC (pH 5.5): 774.97
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.34
ACD/KOC (pH 7.4): 774.97
Polar Surface Area: 17 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 28.4±3.0 dyne/cm
Molar Volume: 167.4±3.0 cm3

Click to predict properties on the Chemicalize site


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