ChemSpider 2D Image | Tetramethyl (1Z,3S,5Z,7S)-3,7-dihexyl-1,5-cyclooctadiene-1,2,5,6-tetracarboxylate | C28H44O8

Tetramethyl (1Z,3S,5Z,7S)-3,7-dihexyl-1,5-cyclooctadiene-1,2,5,6-tetracarboxylate

  • Molecular FormulaC28H44O8
  • Average mass508.644 Da
  • Monoisotopic mass508.303619 Da
  • ChemSpider ID9093475

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1Z,3S,5Z,7S)-3,7-Dihexyl-1,5-cyclooctadiène-1,2,5,6-tétracarboxylate de tétraméthyle [French] [ACD/IUPAC Name]
1,5-Cyclooctadiene-1,2,5,6-tetracarboxylic acid, 3,7-dihexyl-, tetramethyl ester, (1Z,3S,5Z,7S)- [ACD/Index Name]
Tetramethyl (1Z,3S,5Z,7S)-3,7-dihexyl-1,5-cyclooctadiene-1,2,5,6-tetracarboxylate [ACD/IUPAC Name]
Tetramethyl-(1Z,3S,5Z,7S)-3,7-dihexyl-1,5-cyclooctadien-1,2,5,6-tetracarboxylat [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: 566.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 235.5±30.2 °C
Index of Refraction: 1.479
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 9.27
ACD/LogD (pH 5.5): 8.15
ACD/BCF (pH 5.5): 925021.25
ACD/KOC (pH 5.5): 648843.56
ACD/LogD (pH 7.4): 8.15
ACD/BCF (pH 7.4): 925021.25
ACD/KOC (pH 7.4): 648843.56
Polar Surface Area: 105 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 478.1±3.0 cm3

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