ChemSpider 2D Image | 4-Methylcyclohexyl 4-(2-methyl-2-propanyl)cyclohexyl 2,2'-sulfinyldiacetate | C21H36O5S

4-Methylcyclohexyl 4-(2-methyl-2-propanyl)cyclohexyl 2,2'-sulfinyldiacetate

  • Molecular FormulaC21H36O5S
  • Average mass400.573 Da
  • Monoisotopic mass400.228333 Da
  • ChemSpider ID72864459

More details:

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

2,2'-Sulfinyldiacétate de 4-méthylcyclohexyle et de 4-(2-méthyl-2-propanyl)cyclohexyle [French] [ACD/IUPAC Name]
4-Methylcyclohexyl 4-(2-methyl-2-propanyl)cyclohexyl 2,2'-sulfinyldiacetate [ACD/IUPAC Name]
4-Methylcyclohexyl-4-(2-methyl-2-propanyl)cyclohexyl-2,2'-sulfinyldiacetat [German] [ACD/IUPAC Name]
Acetic acid, 2,2'-sulfinylbis-, 4-(1,1-dimethylethyl)cyclohexyl 4-methylcyclohexyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 532.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.5±25.9 °C
Index of Refraction: 1.519
Molar Refractivity: 107.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10493.83
ACD/KOC (pH 5.5): 26288.97
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10493.83
ACD/KOC (pH 7.4): 26288.97
Polar Surface Area: 89 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 355.1±5.0 cm3

Click to predict properties on the Chemicalize site


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