ChemSpider 2D Image | 4,4'-(1,6-Hexanediylbis{oxy[(1E)-1-hydroxy-1-propene-1,3-diyl]})bis[2,6-bis(2-methyl-2-propanyl)phenol] | C40H62O6

4,4'-(1,6-Hexanediylbis{oxy[(1E)-1-hydroxy-1-propene-1,3-diyl]})bis[2,6-bis(2-methyl-2-propanyl)phenol]

  • Molecular FormulaC40H62O6
  • Average mass638.917 Da
  • Monoisotopic mass638.454651 Da
  • ChemSpider ID95703446

More details:

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

4,4'-(1,6-Hexandiylbis{oxy[(1E)-1-hydroxy-1-propen-1,3-diyl]})bis[2,6-bis(2-methyl-2-propanyl)phenol] [German] [ACD/IUPAC Name]
4,4'-(1,6-Hexanediylbis{oxy[(1E)-1-hydroxy-1-propene-1,3-diyl]})bis[2,6-bis(2-methyl-2-propanyl)phenol] [ACD/IUPAC Name]
4,4'-(1,6-Hexanediylbis{oxy[(1E)-1-hydroxy-1-propène-1,3-diyl]})bis[2,6-bis(2-méthyl-2-propanyl)phénol] [French] [ACD/IUPAC Name]
Phenol, 4,4'-[1,6-hexanediylbis[oxy[(1E)-1-hydroxy-1-propene-1,3-diyl]]]bis[2,6-bis(1,1-dimethylethyl)- [ACD/Index 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: 700.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.5±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 190.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 11.57
ACD/LogD (pH 5.5): 10.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 99 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 606.2±3.0 cm3

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