ChemSpider 2D Image | 2,2'-{[4-(3-Methylbutoxy)phenyl]methylene}bis(5,5-dimethyl-1,3-cyclohexanedione) | C28H38O5

2,2'-{[4-(3-Methylbutoxy)phenyl]methylene}bis(5,5-dimethyl-1,3-cyclohexanedione)

  • Molecular FormulaC28H38O5
  • Average mass454.598 Da
  • Monoisotopic mass454.271912 Da
  • ChemSpider ID21768455

More details:

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

1,3-Cyclohexanedione, 2,2'-[[4-(3-methylbutoxy)phenyl]methylene]bis[5,5-dimethyl- [ACD/Index Name]
2,2'-{[4-(3-Methylbutoxy)phenyl]methylen}bis(5,5-dimethyl-1,3-cyclohexandion) [German] [ACD/IUPAC Name]
2,2'-{[4-(3-Methylbutoxy)phenyl]methylene}bis(5,5-dimethyl-1,3-cyclohexanedione) [ACD/IUPAC Name]
2,2'-{[4-(3-Méthylbutoxy)phényl]méthylène}bis(5,5-diméthyl-1,3-cyclohexanedione) [French] [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: 602.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 254.9±31.5 °C
Index of Refraction: 1.519
Molar Refractivity: 126.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 189.85
ACD/KOC (pH 5.5): 770.34
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 2.90
ACD/KOC (pH 7.4): 11.77
Polar Surface Area: 78 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 417.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement