ChemSpider 2D Image | (2S,3S)-2,3-Bis[2-(5-isopropyl-2-methylphenoxy)ethoxy]-1,4-dioxane | C28H40O6

(2S,3S)-2,3-Bis[2-(5-isopropyl-2-methylphenoxy)ethoxy]-1,4-dioxane

  • Molecular FormulaC28H40O6
  • Average mass472.614 Da
  • Monoisotopic mass472.282501 Da
  • ChemSpider ID62439200

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2,3-Bis[2-(5-isopropyl-2-methylphenoxy)ethoxy]-1,4-dioxan [German] [ACD/IUPAC Name]
(2S,3S)-2,3-Bis[2-(5-isopropyl-2-methylphenoxy)ethoxy]-1,4-dioxane [ACD/IUPAC Name]
(2S,3S)-2,3-Bis[2-(5-isopropyl-2-méthylphénoxy)éthoxy]-1,4-dioxane [French] [ACD/IUPAC Name]
1,4-Dioxane, 2,3-bis[2-[2-methyl-5-(1-methylethyl)phenoxy]ethoxy]-, (2S,3S)- [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: 583.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 223.8±30.0 °C
Index of Refraction: 1.537
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37749.23
ACD/KOC (pH 5.5): 65725.55
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37749.23
ACD/KOC (pH 7.4): 65725.55
Polar Surface Area: 55 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 428.6±5.0 cm3

Click to predict properties on the Chemicalize site


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