ChemSpider 2D Image | (trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-methanol | C16H30O

(trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-methanol

  • Molecular FormulaC16H30O
  • Average mass238.409 Da
  • Monoisotopic mass238.229660 Da
  • ChemSpider ID18772655
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-methanol
[(1r,1's,4r,4'S)-4'-Propyl-1,1'-bi(cyclohexyl)-4-yl]methanol [ACD/IUPAC Name]
[(1r,1's,4r,4'S)-4'-Propyl-1,1'-bi(cyclohexyl)-4-yl]methanol [German] [ACD/IUPAC Name]
[(1r,1's,4r,4'S)-4'-Propyl-1,1'-bi(cyclohexyl)-4-yl]méthanol [French] [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-4-methanol, 4'-propyl- [ACD/Index Name]
82562-85-4 [RN]
(trans,trans)-(trans,trans)-4'-Propyl-[1,1'-bicyclohexyl]-4-methanol
(trans,trans)-4'-propyl-(1,1'-bicyclohexyl)-4-methanol
(trans,trans)-4'-Propyl-[1,1'-bicyclohexyl]-4-methanol
(TRANS,TRANS)-4-PROPYL-[1,1-BICYCLOHEXYL]-4-METHANOL
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-39479]
    • Safety:

      20/21/22 Novochemy [NC-39479]
      20/21/36/37/39 Novochemy [NC-39479]
      GHS07; GHS09 Novochemy [NC-39479]
      H332; H403 Novochemy [NC-39479]
      P301+P310; P337+P313 Novochemy [NC-39479]
      R52/53 Novochemy [NC-39479]
      Warning Novochemy [NC-39479]

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

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






Advertisement