ChemSpider 2D Image | 3-Methyl-5-pentyl-2-cyclohexen-1-one | C12H20O

3-Methyl-5-pentyl-2-cyclohexen-1-one

  • Molecular FormulaC12H20O
  • Average mass180.287 Da
  • Monoisotopic mass180.151413 Da
  • ChemSpider ID23345979

More details:

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

2-Cyclohexen-1-one, 3-methyl-5-pentyl- [ACD/Index Name]
3-Methyl-5-pentyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
3-Methyl-5-pentyl-2-cyclohexen-1-one [ACD/IUPAC Name]
3-Méthyl-5-pentyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
3-Methyl-5-pentylcyclohex-2-en-1-one
42161-41-1 [RN]
3-Methyl-5-Pentyl-2-Cyclohexen-1-One (en)
3-Methyl-5-pentylcyclohex-2-enone
MFCD08460187

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

Density: 0.9±0.1 g/cm3
Boiling Point: 268.5±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 114.3±9.8 °C
Index of Refraction: 1.462
Molar Refractivity: 55.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 431.65
ACD/KOC (pH 5.5): 2678.12
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 431.65
ACD/KOC (pH 7.4): 2678.12
Polar Surface Area: 17 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 29.2±3.0 dyne/cm
Molar Volume: 201.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement