ChemSpider 2D Image | 8-Oxo-8-[4-(pentyloxy)phenyl]octanoic acid | C19H28O4

8-Oxo-8-[4-(pentyloxy)phenyl]octanoic acid

  • Molecular FormulaC19H28O4
  • Average mass320.423 Da
  • Monoisotopic mass320.198761 Da
  • ChemSpider ID21401825

More details:






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

8-Oxo-8-[4-(pentyloxy)phenyl]octanoic acid [ACD/IUPAC Name]
8-Oxo-8-[4-(pentyloxy)phenyl]octansäure [German] [ACD/IUPAC Name]
Acide 8-oxo-8-[4-(pentyloxy)phényl]octanoïque [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, η-oxo-4-(pentyloxy)- [ACD/Index Name]
898792-06-8 [RN]
8-oxo-8-(4-pentoxyphenyl)octanoic acid
8-oxo-8-(4-pentyloxyphenyl)octanoic acid
97%
MFCD02261003 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 496.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 171.9±16.7 °C
Index of Refraction: 1.508
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 561.36
ACD/KOC (pH 5.5): 1903.52
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 8.98
ACD/KOC (pH 7.4): 30.44
Polar Surface Area: 64 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 304.7±3.0 cm3

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