ChemSpider 2D Image | 3,6-Dioxo-1,4-cyclohexadiene-1,2,4,5-tetrayl tetrakis(3-methylbutanoate) | C26H36O10

3,6-Dioxo-1,4-cyclohexadiene-1,2,4,5-tetrayl tetrakis(3-methylbutanoate)

  • Molecular FormulaC26H36O10
  • Average mass508.558 Da
  • Monoisotopic mass508.230835 Da
  • ChemSpider ID228670

More details:

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

3,6-Dioxo-1,4-cyclohexadien-1,2,4,5-tetrayl-tetrakis(3-methylbutanoat) [German] [ACD/IUPAC Name]
3,6-Dioxo-1,4-cyclohexadiene-1,2,4,5-tetrayl tetrakis(3-methylbutanoate) [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, 3,6-dioxo-1,4-cyclohexadiene-1,2,4,5-tetrayl ester [ACD/Index Name]
Tétrakis(3-méthylbutanoate) de 3,6-dioxo-1,4-cyclohexadiène-1,2,4,5-tétrayle [French] [ACD/IUPAC Name]
2808-26-6 [RN]
28293-26-7 [RN]
3,6-DIOXOCYCLOHEXA-1,4-DIENE-1,2,4,5-TETRAYL TETRAKIS(3-METHYLBUTANOATE)
BUTANOIC ACID,3-METHYL-, 3,6-DIOXO-1,4-CYCLOHEXADIENE-1,2,4,5-TETRAYL ESTER (9CI)

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

NSC91871 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 238.0±30.2 °C
Index of Refraction: 1.503
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1203.43
ACD/KOC (pH 5.5): 5579.12
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1203.43
ACD/KOC (pH 7.4): 5579.12
Polar Surface Area: 139 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 429.5±5.0 cm3

Click to predict properties on the Chemicalize site


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