ChemSpider 2D Image | 4,4'-(Sulfanediylbis{[(1E)-1-hydroxy-1-propene-3,1-diyl]oxy-2,1-ethanediyl})bis[2,6-bis(2-methyl-2-propanyl)phenol] | C38H58O6S

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

  • Molecular FormulaC38H58O6S
  • Average mass642.929 Da
  • Monoisotopic mass642.395386 Da
  • ChemSpider ID95585443

More details:

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

4,4'-(Sulfandiylbis{[(1E)-1-hydroxy-1-propen-3,1-diyl]oxy-2,1-ethandiyl})bis[2,6-bis(2-methyl-2-propanyl)phenol] [German] [ACD/IUPAC Name]
4,4'-(Sulfanediylbis{[(1E)-1-hydroxy-1-propene-3,1-diyl]oxy-2,1-ethanediyl})bis[2,6-bis(2-methyl-2-propanyl)phenol] [ACD/IUPAC Name]
4,4'-(Sulfanediylbis{[(1E)-1-hydroxy-1-propène-3,1-diyl]oxy-2,1-éthanediyl})bis[2,6-bis(2-méthyl-2-propanyl)phénol] [French] [ACD/IUPAC Name]
Phenol, 4,4'-[thiobis[[(1E)-1-hydroxy-1-propene-3,1-diyl]oxy-2,1-ethanediyl]]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: 706.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 381.2±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 189.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 11.87
ACD/LogD (pH 5.5): 10.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 125 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 587.2±3.0 cm3

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