ChemSpider 2D Image | 1,3-Hexanediyl bis(3,3-dimethyl-5-oxohexanoate) | C22H38O6

1,3-Hexanediyl bis(3,3-dimethyl-5-oxohexanoate)

  • Molecular FormulaC22H38O6
  • Average mass398.534 Da
  • Monoisotopic mass398.266846 Da
  • ChemSpider ID65248109

More details:

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

1,3-Hexandiyl-bis(3,3-dimethyl-5-oxohexanoat) [German] [ACD/IUPAC Name]
1,3-Hexanediyl bis(3,3-dimethyl-5-oxohexanoate) [ACD/IUPAC Name]
Bis(3,3-diméthyl-5-oxohexanoate) de 1,3-hexanediyle [French] [ACD/IUPAC Name]
Hexanoic acid, 3,3-dimethyl-5-oxo-, 1-propyl-1,3-propanediyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 487.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 206.7±23.2 °C
Index of Refraction: 1.459
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 345.96
ACD/KOC (pH 5.5): 2285.79
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 345.96
ACD/KOC (pH 7.4): 2285.79
Polar Surface Area: 87 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 393.4±3.0 cm3

Click to predict properties on the Chemicalize site


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