ChemSpider 2D Image | (2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate | C12H22O2

(2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate

  • Molecular FormulaC12H22O2
  • Average mass198.302 Da
  • Monoisotopic mass198.161987 Da
  • ChemSpider ID21421509

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,5R)-2-Isopropyl-5-methylcyclohexyl acetate [ACD/IUPAC Name]
(2S,5R)-2-Isopropyl-5-methylcyclohexyl-acetat [German] [ACD/IUPAC Name]
Acétate de (2S,5R)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (2S,5R)- [ACD/Index Name]
2623-23-6 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 229.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 92.2±0.0 °C
Index of Refraction: 1.448
Molar Refractivity: 57.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1545.39
ACD/KOC (pH 5.5): 6672.85
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1545.39
ACD/KOC (pH 7.4): 6672.85
Polar Surface Area: 26 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 29.5±5.0 dyne/cm
Molar Volume: 213.9±5.0 cm3

Click to predict properties on the Chemicalize site


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