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Search term: QVTINBMJKAORHL (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 8-Cyclopentyl-8-oxooctanoic acid | C13H22O3

8-Cyclopentyl-8-oxooctanoic acid

  • Molecular FormulaC13H22O3
  • Average mass226.312 Da
  • Monoisotopic mass226.156891 Da
  • ChemSpider ID21401722

More details:






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

898766-79-5 [RN]
8-Cyclopentyl-8-oxooctanoic acid [ACD/IUPAC Name]
8-Cyclopentyl-8-oxooctansäure [German] [ACD/IUPAC Name]
Acide 8-cyclopentyl-8-oxooctanoïque [French] [ACD/IUPAC Name]
Cyclopentaneoctanoic acid, η-oxo- [ACD/Index Name]
MFCD01311662 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 396.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.0±6.0 kJ/mol
Flash Point: 207.7±19.7 °C
Index of Refraction: 1.489
Molar Refractivity: 61.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 6.72
ACD/KOC (pH 5.5): 80.22
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
Polar Surface Area: 54 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 213.6±3.0 cm3

Click to predict properties on the Chemicalize site






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