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

(4-Acetyl-3-{3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]propoxy}-2-propylphenoxy)acetic acid

  • Molecular FormulaC30H40O9
  • Average mass544.633 Da
  • Monoisotopic mass544.267212 Da
  • ChemSpider ID14734360

More details:

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

(4-Acetyl-3-{3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]propoxy}-2-propylphenoxy)acetic acid [ACD/IUPAC Name]
(4-Acetyl-3-{3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]propoxy}-2-propylphenoxy)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-acetyl-3-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]propoxy]-2-propylphenoxy]- [ACD/Index Name]
Acide (4-acétyl-3-{3-[3-(4-acétyl-3-hydroxy-2-propylphénoxy)propoxy]propoxy}-2-propylphénoxy)acétique [French] [ACD/IUPAC Name]
(4-Acetyl-3-{3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-propoxy]-propoxy}-2-propyl-phenoxy)-acetic acid
ACETIC ACID,[4-ACETYL-3-[3-[3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PROPOXY]PROPOXY]-2-PROPYLPHENOXY]-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 721.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 229.3±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: 6.39
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 29.93
ACD/KOC (pH 5.5): 79.79
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 4.95
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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