ChemSpider 2D Image | [(1r,4r)-4'-Propyl-1,1'-bi(cyclohexyl)-4-yl]methanol | C16H30O

[(1r,4r)-4'-Propyl-1,1'-bi(cyclohexyl)-4-yl]methanol

  • Molecular FormulaC16H30O
  • Average mass238.409 Da
  • Monoisotopic mass238.229660 Da
  • ChemSpider ID34018946

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

[(1r,4r)-4'-Propyl-1,1'-bi(cyclohexyl)-4-yl]methanol [German] [ACD/IUPAC Name]
[(1r,4r)-4'-Propyl-1,1'-bi(cyclohexyl)-4-yl]methanol [ACD/IUPAC Name]
[(1r,4r)-4'-Propyl-1,1'-bi(cyclohexyl)-4-yl]méthanol [French] [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-4-methanol, 4'-propyl- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 334.0±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.8±6.0 kJ/mol
Flash Point: 156.5±9.1 °C
Index of Refraction: 1.480
Molar Refractivity: 73.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6461.77
ACD/KOC (pH 5.5): 18579.80
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6461.77
ACD/KOC (pH 7.4): 18579.80
Polar Surface Area: 20 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 259.2±3.0 cm3

Click to predict properties on the Chemicalize site


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