ChemSpider 2D Image | 7-Oxo-7-(9-phenanthryl)heptanoic acid | C21H20O3

7-Oxo-7-(9-phenanthryl)heptanoic acid

  • Molecular FormulaC21H20O3
  • Average mass320.382 Da
  • Monoisotopic mass320.141235 Da
  • ChemSpider ID21401684

More details:

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

7-Oxo-7-(9-phenanthryl)heptanoic acid [ACD/IUPAC Name]
7-Oxo-7-(9-phenanthryl)heptansäure [German] [ACD/IUPAC Name]
898766-07-9 [RN]
9-Phenanthreneheptanoic acid, ζ-oxo- [ACD/Index Name]
Acide 7-oxo-7-(9-phénanthryl)heptanoïque [French] [ACD/IUPAC Name]
7-OXO-7-(PHENANTHREN-9-YL)HEPTANOIC ACID
7-oxo-7-phenanthren-9-ylheptanoic acid
MFCD02261199 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 568.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 311.8±21.9 °C
Index of Refraction: 1.646
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 401.83
ACD/KOC (pH 5.5): 1477.68
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 6.40
ACD/KOC (pH 7.4): 23.53
Polar Surface Area: 54 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 266.4±3.0 cm3

Click to predict properties on the Chemicalize site


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