ChemSpider 2D Image | 2,2'-(2-Oxo-1,1-propanediyl)bis(5,5-dimethyl-1,3-cyclohexanedione) | C19H26O5

2,2'-(2-Oxo-1,1-propanediyl)bis(5,5-dimethyl-1,3-cyclohexanedione)

  • Molecular FormulaC19H26O5
  • Average mass334.407 Da
  • Monoisotopic mass334.178009 Da
  • ChemSpider ID28671299

More details:

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

1,3-Cyclohexanedione, 2,2'-(2-oxopropylidene)bis[5,5-dimethyl- [ACD/Index Name]
2,2'-(2-Oxo-1,1-propandiyl)bis(5,5-dimethyl-1,3-cyclohexandion) [German] [ACD/IUPAC Name]
2,2'-(2-Oxo-1,1-propanediyl)bis(5,5-dimethyl-1,3-cyclohexanedione) [ACD/IUPAC Name]
2,2'-(2-Oxo-1,1-propanediyl)bis(5,5-diméthyl-1,3-cyclohexanedione) [French] [ACD/IUPAC Name]
1,1-bis(5,5-dimethyl-1,3-cyclohexanedion-2-yl)acetone
111837-89-9 [RN]
2,2'-(2-Oxopropane-1,1-diyl)bis(5,5-dimethylcyclohexane-1,3-dione)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 508.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 218.7±23.9 °C
Index of Refraction: 1.493
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.35
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 297.5±3.0 cm3

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