ChemSpider 2D Image | Bis{2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]-2-propen-1-yl} isophthalate | C38H50O4

Bis{2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]-2-propen-1-yl} isophthalate

  • Molecular FormulaC38H50O4
  • Average mass570.801 Da
  • Monoisotopic mass570.370911 Da
  • ChemSpider ID76788533

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1,3-Benzenedicarboxylic acid, bis[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(1-methylethenyl)cyclohexyl]-2-propen-1-yl] ester [ACD/Index Name]
Bis{2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]-2-propen-1-yl} isophthalate [ACD/IUPAC Name]
Bis{2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]-2-propen-1-yl}-isophthalat [German] [ACD/IUPAC Name]
Isophtalate de bis{2-[(1R,3S,4S)-3-isopropényl-4-méthyl-4-vinylcyclohexyl]-2-propén-1-yle} [French] [ACD/IUPAC 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: 622.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 299.3±28.5 °C
Index of Refraction: 1.555
Molar Refractivity: 176.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 13.68
ACD/LogD (pH 5.5): 12.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 548.7±3.0 cm3

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