ChemSpider 2D Image | (1S,2S)-2-(2-Methyl-2-butanyl)cyclohexyl acetate | C13H24O2

(1S,2S)-2-(2-Methyl-2-butanyl)cyclohexyl acetate

  • Molecular FormulaC13H24O2
  • Average mass212.329 Da
  • Monoisotopic mass212.177628 Da
  • ChemSpider ID32796904

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-(2-Methyl-2-butanyl)cyclohexyl acetate [ACD/IUPAC Name]
(1S,2S)-2-(2-Methyl-2-butanyl)cyclohexyl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,2S)-2-(2-méthyl-2-butanyl)cyclohexyle [French] [ACD/IUPAC Name]
Cyclohexanol, 2-(1,1-dimethylpropyl)-, acetate, (1S,2S)- [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: 239.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 102.8±6.0 °C
Index of Refraction: 1.453
Molar Refractivity: 62.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2010.10
ACD/KOC (pH 5.5): 8054.52
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2010.10
ACD/KOC (pH 7.4): 8054.52
Polar Surface Area: 26 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 30.4±5.0 dyne/cm
Molar Volume: 229.5±5.0 cm3

Click to predict properties on the Chemicalize site


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