ChemSpider 2D Image | 4,4'-[(3R,4R)-3,4-Hexanediyl]bis(2-methylphenol) | C20H26O2

4,4'-[(3R,4R)-3,4-Hexanediyl]bis(2-methylphenol)

  • Molecular FormulaC20H26O2
  • Average mass298.419 Da
  • Monoisotopic mass298.193268 Da
  • ChemSpider ID32786979
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

4,4'-[(3R,4R)-3,4-Hexandiyl]bis(2-methylphenol) [German] [ACD/IUPAC Name]
4,4'-[(3R,4R)-3,4-Hexanediyl]bis(2-methylphenol) [ACD/IUPAC Name]
4,4'-[(3R,4R)-3,4-Hexanediyl]bis(2-méthylphénol) [French] [ACD/IUPAC Name]
Phenol, 4,4'-[(1R,2R)-1,2-diethyl-1,2-ethanediyl]bis[2-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 418.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 185.9±21.9 °C
Index of Refraction: 1.573
Molar Refractivity: 92.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6744.38
ACD/KOC (pH 5.5): 19157.79
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6733.46
ACD/KOC (pH 7.4): 19126.76
Polar Surface Area: 40 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 279.9±3.0 cm3

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