ChemSpider 2D Image | Bis[(1R,2S,5R)-5-methyl-2-(2-phenyl-2-propanyl)cyclohexyl] terephthalate | C40H50O4

Bis[(1R,2S,5R)-5-methyl-2-(2-phenyl-2-propanyl)cyclohexyl] terephthalate

  • Molecular FormulaC40H50O4
  • Average mass594.823 Da
  • Monoisotopic mass594.370911 Da
  • ChemSpider ID8569140

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1,4-Benzenedicarboxylic acid, bis[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl] ester [ACD/Index Name]
Bis[(1R,2S,5R)-5-methyl-2-(2-phenyl-2-propanyl)cyclohexyl] terephthalate [ACD/IUPAC Name]
Bis[(1R,2S,5R)-5-methyl-2-(2-phenyl-2-propanyl)cyclohexyl]-terephthalat [German] [ACD/IUPAC Name]
Téréphtalate de bis[(1R,2S,5R)-5-méthyl-2-(2-phényl-2-propanyl)cyclohexyle] [French] [ACD/IUPAC 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: 664.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 324.6±22.4 °C
Index of Refraction: 1.575
Molar Refractivity: 177.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 12.93
ACD/LogD (pH 5.5): 11.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 537.6±5.0 cm3

Click to predict properties on the Chemicalize site


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