ChemSpider 2D Image | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl vinyl carbonate | C13H22O3

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl vinyl carbonate

  • Molecular FormulaC13H22O3
  • Average mass226.312 Da
  • Monoisotopic mass226.156891 Da
  • ChemSpider ID27471593

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl vinyl carbonate [ACD/IUPAC Name]
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl-vinylcarbonat [German] [ACD/IUPAC Name]
Carbonate de (1R,2S,5R)-2-isopropyl-5-méthylcyclohexyle et de vinyle [French] [ACD/IUPAC Name]
Carbonic acid, ethenyl (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 292.1±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 96.7±13.9 °C
Index of Refraction: 1.460
Molar Refractivity: 63.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1652.25
ACD/KOC (pH 5.5): 6999.97
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1652.25
ACD/KOC (pH 7.4): 6999.97
Polar Surface Area: 36 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 31.2±5.0 dyne/cm
Molar Volume: 231.8±5.0 cm3

Click to predict properties on the Chemicalize site


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