ChemSpider 2D Image | (1S,3S)-1,3-Diisopropylcyclohexane | C12H24

(1S,3S)-1,3-Diisopropylcyclohexane

  • Molecular FormulaC12H24
  • Average mass168.319 Da
  • Monoisotopic mass168.187805 Da
  • ChemSpider ID57558935

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3S)-1,3-Diisopropylcyclohexan [German] [ACD/IUPAC Name]
(1S,3S)-1,3-Diisopropylcyclohexane [ACD/IUPAC Name]
(1S,3S)-1,3-Diisopropylcyclohexane [French] [ACD/IUPAC Name]
Cyclohexane, 1,3-bis(1-methylethyl)-, (1S,3S)- [ACD/Index Name]
(1S,3S)-1,3-Di(propan-2-yl)cyclohexane
183494-24-8 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 206.6±7.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 42.5±0.8 kJ/mol
Flash Point: 71.0±11.7 °C
Index of Refraction: 1.439
Molar Refractivity: 55.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11326.87
ACD/KOC (pH 5.5): 27766.49
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11326.87
ACD/KOC (pH 7.4): 27766.49
Polar Surface Area: 0 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 25.4±3.0 dyne/cm
Molar Volume: 210.7±3.0 cm3

Click to predict properties on the Chemicalize site


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