ChemSpider 2D Image | Benzene-1,2,3,4,5,6-hexayl hexakis(2-methylbutanoate) | C36H54O12

Benzene-1,2,3,4,5,6-hexayl hexakis(2-methylbutanoate)

  • Molecular FormulaC36H54O12
  • Average mass678.807 Da
  • Monoisotopic mass678.361511 Da
  • ChemSpider ID279612

More details:

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

Benzene-1,2,3,4,5,6-hexayl hexakis(2-methylbutanoate) [ACD/IUPAC Name]
Benzol-1,2,3,4,5,6-hexayl-hexakis(2-methylbutanoat) [German] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, benzene-1,2,3,4,5,6-hexayl ester [ACD/Index Name]
Hexakis(2-méthylbutanoate) de benzène-1,2,3,4,5,6-hexayle [French] [ACD/IUPAC Name]

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

NSC243153 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 688.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 276.5±31.5 °C
Index of Refraction: 1.489
Molar Refractivity: 177.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8840.75
ACD/KOC (pH 5.5): 23253.43
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8840.75
ACD/KOC (pH 7.4): 23253.43
Polar Surface Area: 158 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 614.6±3.0 cm3

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