ChemSpider 2D Image | 4-(4-butylcyclohexyl) cyclohexanone | C16H28O

4-(4-butylcyclohexyl) cyclohexanone

  • Molecular FormulaC16H28O
  • Average mass236.393 Da
  • Monoisotopic mass236.214020 Da
  • ChemSpider ID24751283
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1's,4'r)-4'-Butyl-1,1'-bi(cyclohexyl)-4-on [German] [ACD/IUPAC Name]
(1's,4'r)-4'-Butyl-1,1'-bi(cyclohexyl)-4-one [ACD/IUPAC Name]
(1's,4'r)-4'-Butyl-1,1'-bi(cyclohexyl)-4-one [French] [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-4-one, 4'-butyl- [ACD/Index Name]
4-(4-butylcyclohexyl) cyclohexanone
92413-47-3 [RN]
(1's,4'r)-4'-butyl-[1,1'-bi(cyclohexan)]-4-one
[92413-47-3]
4-(4-butylcyclohexyl)cyclohexan-1-one
4-(4'-trans-Butylcyclohexyl)cyclohexanone
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-40158]
    • Safety:

      20/21/22 Novochemy [NC-40158]
      20/21/36/37/39 Novochemy [NC-40158]
      GHS07; GHS09 Novochemy [NC-40158]
      H332; H403 Novochemy [NC-40158]
      IRRITANT Matrix Scientific 091124
      P301+P310; P337+P313 Novochemy [NC-40158]
      Warning Novochemy [NC-40158]
      Xn Novochemy [NC-40158]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 327.8±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 144.3±11.3 °C
Index of Refraction: 1.480
Molar Refractivity: 72.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2913.37
ACD/KOC (pH 5.5): 10505.34
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2913.37
ACD/KOC (pH 7.4): 10505.34
Polar Surface Area: 17 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 253.6±3.0 cm3

Click to predict properties on the Chemicalize site






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