ChemSpider 2D Image | Benzene-1,2,3,4,5,6-hexayl hexabutanoate | C30H42O12

Benzene-1,2,3,4,5,6-hexayl hexabutanoate

  • Molecular FormulaC30H42O12
  • Average mass594.647 Da
  • Monoisotopic mass594.267639 Da
  • ChemSpider ID279611

More details:

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

Benzene-1,2,3,4,5,6-hexayl hexabutanoate [ACD/IUPAC Name]
Benzol-1,2,3,4,5,6-hexayl-hexabutanoat [German] [ACD/IUPAC Name]
Butanoic acid, benzene-1,2,3,4,5,6-hexayl ester [ACD/Index Name]
Hexabutanoate de benzène-1,2,3,4,5,6-hexayle [French] [ACD/IUPAC Name]
20129-67-3 [RN]

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

NSC243152 [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: 651.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 268.6±31.5 °C
Index of Refraction: 1.496
Molar Refractivity: 149.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 362.92
ACD/KOC (pH 5.5): 2365.46
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 362.92
ACD/KOC (pH 7.4): 2365.46
Polar Surface Area: 158 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 513.3±3.0 cm3

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