ChemSpider 2D Image | 8-(2-{[8-(2-Hydroxyphenyl)octanoyl]oxy}phenyl)octanoic acid | C28H38O5

8-(2-{[8-(2-Hydroxyphenyl)octanoyl]oxy}phenyl)octanoic acid

  • Molecular FormulaC28H38O5
  • Average mass454.598 Da
  • Monoisotopic mass454.271912 Da
  • ChemSpider ID22369891

More details:

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

8-(2-{[8-(2-Hydroxyphenyl)octanoyl]oxy}phenyl)octanoic acid [ACD/IUPAC Name]
8-(2-{[8-(2-Hydroxyphenyl)octanoyl]oxy}phenyl)octansäure [German] [ACD/IUPAC Name]
Acide 8-(2-{[8-(2-hydroxyphényl)octanoyl]oxy}phényl)octanoïque [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, 2-[[8-(2-hydroxyphenyl)-1-oxooctyl]oxy]- [ACD/Index Name]
8-[2-[8-(2-Hydroxyphenyl)octanoyloxy]phenyl]octanoic acid
Compound NP-008817

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

Density: 1.1±0.1 g/cm3
Boiling Point: 643.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 208.5±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 130.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 23328.79
ACD/KOC (pH 5.5): 27623.48
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 373.72
ACD/KOC (pH 7.4): 442.52
Polar Surface Area: 84 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 411.7±3.0 cm3

Click to predict properties on the Chemicalize site


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