ChemSpider 2D Image | (5S)-3,3,5-Trimethylcyclohexanol | C9H18O

(5S)-3,3,5-Trimethylcyclohexanol

  • Molecular FormulaC9H18O
  • Average mass142.239 Da
  • Monoisotopic mass142.135757 Da
  • ChemSpider ID74046884

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5S)-3,3,5-Trimethylcyclohexanol [German] [ACD/IUPAC Name]
(5S)-3,3,5-Trimethylcyclohexanol [ACD/IUPAC Name]
(5S)-3,3,5-Triméthylcyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 3,3,5-trimethyl-, (5S)- [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: 187.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 49.3±6.0 kJ/mol
Flash Point: 73.2±10.9 °C
Index of Refraction: 1.448
Molar Refractivity: 43.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.14
ACD/KOC (pH 5.5): 907.22
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.14
ACD/KOC (pH 7.4): 907.22
Polar Surface Area: 20 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 161.8±3.0 cm3

Click to predict properties on the Chemicalize site


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