ChemSpider 2D Image | Tetrabutyl (4R,5R,4'R,5'R)-2,2'-(1,4-phenylene)bis(1,3-dioxolane-4,5-dicarboxylate) | C32H46O12

Tetrabutyl (4R,5R,4'R,5'R)-2,2'-(1,4-phenylene)bis(1,3-dioxolane-4,5-dicarboxylate)

  • Molecular FormulaC32H46O12
  • Average mass622.700 Da
  • Monoisotopic mass622.298950 Da
  • ChemSpider ID9723829

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R,5R,4'R,5'R)-2,2'-(1,4-Phénylène)bis(1,3-dioxolane-4,5-dicarboxylate) de tétrabutyle [French] [ACD/IUPAC Name]
1,3-Dioxolane-4,5-dicarboxylic acid, 2,2'-(1,4-phenylene)bis-, tetrabutyl ester, (4R,5R,4'R,5'R)- [ACD/Index Name]
Tetrabutyl (4R,5R,4'R,5'R)-2,2'-(1,4-phenylene)bis(1,3-dioxolane-4,5-dicarboxylate) [ACD/IUPAC Name]
Tetrabutyl-(4R,5R,4'R,5'R)-2,2'-(1,4-phenylen)bis(1,3-dioxolan-4,5-dicarboxylat) [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 272.9±30.2 °C
Index of Refraction: 1.502
Molar Refractivity: 156.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 9.73
ACD/LogD (pH 5.5): 7.35
ACD/BCF (pH 5.5): 225646.63
ACD/KOC (pH 5.5): 236352.11
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 225646.63
ACD/KOC (pH 7.4): 236352.11
Polar Surface Area: 142 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 529.1±3.0 cm3

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