ChemSpider 2D Image | Megastigmatrienone | C13H18O

Megastigmatrienone

  • Molecular FormulaC13H18O
  • Average mass190.281 Da
  • Monoisotopic mass190.135757 Da
  • ChemSpider ID21160088

More details:

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

225-944-2 [EINECS]
226-145-1 [EINECS]
226-825-8 [EINECS]
236-187-2 [EINECS]
2-Cyclohexen-1-one, 4-(2-buten-1-ylidene)-3,5,5-trimethyl- [ACD/Index Name]
4-(2-Buten-1-yliden)-3,5,5-trimethyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
4-(2-Buten-1-ylidene)-3,5,5-trimethyl-2-cyclohexen-1-one [ACD/IUPAC Name]
4-(2-Butén-1-ylidène)-3,5,5-triméthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
4-(But-2-en-1-ylidene)-3,5,5-trimethylcyclohex-2-en-1-one
5164-79-4 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 289.2±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 124.8±9.8 °C
Index of Refraction: 1.540
Molar Refractivity: 61.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 292.81
ACD/KOC (pH 5.5): 2028.56
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 292.81
ACD/KOC (pH 7.4): 2028.56
Polar Surface Area: 17 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 196.5±3.0 cm3

Click to predict properties on the Chemicalize site


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