ChemSpider 2D Image | 4-(4-Acetyl-3-{2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy}-2-propylphenoxy)butanoic acid | C30H40O9

4-(4-Acetyl-3-{2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy}-2-propylphenoxy)butanoic acid

  • Molecular FormulaC30H40O9
  • Average mass544.633 Da
  • Monoisotopic mass544.267212 Da
  • ChemSpider ID14734311

More details:

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

4-(4-Acetyl-3-{2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy}-2-propylphenoxy)butanoic acid [ACD/IUPAC Name]
4-(4-Acetyl-3-{2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy}-2-propylphenoxy)butansäure [German] [ACD/IUPAC Name]
Acide 4-(4-acétyl-3-{2-[2-(4-acétyl-3-hydroxy-2-propylphénoxy)éthoxy]éthoxy}-2-propylphénoxy)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[4-acetyl-3-[2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy]-2-propylphenoxy]- [ACD/Index Name]
4-(4-Acetyl-3-{2-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-ethoxy]-ethoxy}-2-propyl-phenoxy)-butyric acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 734.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 234.3±26.4 °C
Index of Refraction: 1.545
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1136.95
ACD/KOC (pH 5.5): 2853.66
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 17.84
ACD/KOC (pH 7.4): 44.78
Polar Surface Area: 129 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 466.0±3.0 cm3

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