ChemSpider 2D Image | 1,3-Phenylene (1R,4R,1'S,4'S)bis(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylate) | C28H30O8

1,3-Phenylene (1R,4R,1'S,4'S)bis(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylate)

  • Molecular FormulaC28H30O8
  • Average mass494.533 Da
  • Monoisotopic mass494.194061 Da
  • ChemSpider ID62451482

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,4R,1'S,4'S)Bis(4,7,7-triméthyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylate) de 1,3-phénylène [French] [ACD/IUPAC Name]
1,3-Phenylen-(1R,4R,1'S,4'S)bis(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptan-1-carboxylat) [German] [ACD/IUPAC Name]
1,3-Phenylene (1R,4R,1'S,4'S)bis(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylate) [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-2,3-dioxo-, 1,3-phenylene ester, (1R,4R,1'S,4'S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 252.2±27.4 °C
Index of Refraction: 1.588
Molar Refractivity: 124.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.90
ACD/KOC (pH 5.5): 905.61
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.90
ACD/KOC (pH 7.4): 905.61
Polar Surface Area: 121 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 369.1±3.0 cm3

Click to predict properties on the Chemicalize site


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