ChemSpider 2D Image | 1-(2,4,4-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one | C13H20O

1-(2,4,4-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one

  • Molecular FormulaC13H20O
  • Average mass192.297 Da
  • Monoisotopic mass192.151413 Da
  • ChemSpider ID21229865

More details:






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

1-(2,4,4-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-on [German] [ACD/IUPAC Name]
1-(2,4,4-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one [ACD/IUPAC Name]
1-(2,4,4-Triméthyl-2-cyclohexén-1-yl)-2-butén-1-one [French] [ACD/IUPAC Name]
1-(2,4,4-Trimethylcyclohex-2-en-1-yl)but-2-en-1-one
251-632-0 [EINECS]
2-Buten-1-one, 1-(2,4,4-trimethyl-2-cyclohexen-1-yl)- [ACD/Index Name]
33673-71-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 267.1±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.5±3.0 kJ/mol
Flash Point: 105.7±19.2 °C
Index of Refraction: 1.471
Molar Refractivity: 59.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 691.35
ACD/KOC (pH 5.5): 3751.97
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 691.35
ACD/KOC (pH 7.4): 3751.97
Polar Surface Area: 17 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 27.9±3.0 dyne/cm
Molar Volume: 214.0±3.0 cm3

Click to predict properties on the Chemicalize site






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