ChemSpider 2D Image | 2-{[(Cyclohexylcarbonyl)oxy]methyl}-2-[(nonanoyloxy)methyl]butyl cyclohexanecarboxylate | C29H50O6

2-{[(Cyclohexylcarbonyl)oxy]methyl}-2-[(nonanoyloxy)methyl]butyl cyclohexanecarboxylate

  • Molecular FormulaC29H50O6
  • Average mass494.704 Da
  • Monoisotopic mass494.360748 Da
  • ChemSpider ID57523801

More details:

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

2-{[(Cyclohexylcarbonyl)oxy]methyl}-2-[(nonanoyloxy)methyl]butyl cyclohexanecarboxylate [ACD/IUPAC Name]
2-{[(Cyclohexylcarbonyl)oxy]methyl}-2-[(nonanoyloxy)methyl]butyl-cyclohexancarboxylat [German] [ACD/IUPAC Name]
Cyclohexanecarboxylate de 2-{[(cyclohexylcarbonyl)oxy]méthyl}-2-[(nonanoyloxy)méthyl]butyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-ethyl-2-[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester [ACD/Index Name]
99554-33-3 [RN]
Cyclohexanecarboxylic acid, 2-ethyl-2-(((1-oxononyl)oxy)methyl)-1,3-propanediyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 571.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 237.1±24.6 °C
Index of Refraction: 1.486
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 8.78
ACD/LogD (pH 5.5): 8.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 990351.88
ACD/LogD (pH 7.4): 8.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 990351.88
Polar Surface Area: 79 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 477.7±3.0 cm3

Click to predict properties on the Chemicalize site


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