ChemSpider 2D Image | Diisopropyl 3-methyl-5-oxo-3-cyclohexene-1,1-dicarboxylate | C15H22O5

Diisopropyl 3-methyl-5-oxo-3-cyclohexene-1,1-dicarboxylate

  • Molecular FormulaC15H22O5
  • Average mass282.332 Da
  • Monoisotopic mass282.146729 Da
  • ChemSpider ID21123749

More details:

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

3-Cyclohexene-1,1-dicarboxylic acid, 3-methyl-5-oxo-, bis(1-methylethyl) ester [ACD/Index Name]
3-Méthyl-5-oxo-3-cyclohexène-1,1-dicarboxylate de diisopropyle [French] [ACD/IUPAC Name]
Diisopropyl 3-methyl-5-oxo-3-cyclohexene-1,1-dicarboxylate [ACD/IUPAC Name]
Diisopropyl-3-methyl-5-oxo-3-cyclohexen-1,1-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 349.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 149.7±27.9 °C
Index of Refraction: 1.480
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.17
ACD/KOC (pH 5.5): 445.02
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.17
ACD/KOC (pH 7.4): 445.02
Polar Surface Area: 70 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 254.7±3.0 cm3

Click to predict properties on the Chemicalize site


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