ChemSpider 2D Image | 1,4-Phenylene bis(9,11-heptadecadiynoate) | C40H54O4

1,4-Phenylene bis(9,11-heptadecadiynoate)

  • Molecular FormulaC40H54O4
  • Average mass598.854 Da
  • Monoisotopic mass598.402222 Da
  • ChemSpider ID3321438

More details:






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

1,4-Phenylen-bis(9,11-heptadecadiinoat) [German] [ACD/IUPAC Name]
1,4-Phenylene bis(9,11-heptadecadiynoate) [ACD/IUPAC Name]
9,11-Heptadecadiynoic acid, 1,4-phenylene ester [ACD/Index Name]
Bis(9,11-heptadécadiynoate) de 1,4-phénylène [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 723.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 357.7±29.9 °C
Index of Refraction: 1.519
Molar Refractivity: 179.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 13.51
ACD/LogD (pH 5.5): 12.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 593.1±3.0 cm3

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