ChemSpider 2D Image | 7-Cyclohexyl-7-oxoheptanoic acid | C13H22O3

7-Cyclohexyl-7-oxoheptanoic acid

  • Molecular FormulaC13H22O3
  • Average mass226.312 Da
  • Monoisotopic mass226.156891 Da
  • ChemSpider ID21401717

More details:






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

7-Cyclohexyl-7-oxoheptanoic acid [ACD/IUPAC Name]
7-Cyclohexyl-7-oxoheptansäure [German] [ACD/IUPAC Name]
898766-74-0 [RN]
Acide 7-cyclohexyl-7-oxoheptanoïque [French] [ACD/IUPAC Name]
Cyclohexaneheptanoic acid, ζ-oxo- [ACD/Index Name]
MFCD01320142 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 398.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 209.0±19.7 °C
Index of Refraction: 1.485
Molar Refractivity: 61.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 6.62
ACD/KOC (pH 5.5): 78.40
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 54 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 214.9±3.0 cm3

Click to predict properties on the Chemicalize site






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