ChemSpider 2D Image | 1-Cyclopentyl-5-methyl-1-hexanone | C12H22O

1-Cyclopentyl-5-methyl-1-hexanone

  • Molecular FormulaC12H22O
  • Average mass182.303 Da
  • Monoisotopic mass182.167068 Da
  • ChemSpider ID46080400

More details:






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

1-Cyclopentyl-5-methyl-1-hexanon [German] [ACD/IUPAC Name]
1-Cyclopentyl-5-methyl-1-hexanone [ACD/IUPAC Name]
1-Cyclopentyl-5-méthyl-1-hexanone [French] [ACD/IUPAC Name]
1-Hexanone, 1-cyclopentyl-5-methyl- [ACD/Index Name]
3400-91-7 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 239.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 108.5±6.1 °C
Index of Refraction: 1.458
Molar Refractivity: 55.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 304.64
ACD/KOC (pH 5.5): 2086.91
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 304.64
ACD/KOC (pH 7.4): 2086.91
Polar Surface Area: 17 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 202.9±3.0 cm3

Click to predict properties on the Chemicalize site






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