ChemSpider 2D Image | Diethyl 4,4'-{[2,5-bis(octyloxy)-1,4-phenylene]di(E)-2,1-ethenediyl}dibenzoate | C44H58O6

Diethyl 4,4'-{[2,5-bis(octyloxy)-1,4-phenylene]di(E)-2,1-ethenediyl}dibenzoate

  • Molecular FormulaC44H58O6
  • Average mass682.928 Da
  • Monoisotopic mass682.423340 Da
  • ChemSpider ID8922443

  • Double-bond stereo - Double-bond stereo

More details:

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

4,4'-{[2,5-Bis(octyloxy)-1,4-phénylène]di(E)-2,1-éthènediyl}dibenzoate de diéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4,4'-[[2,5-bis(octyloxy)-1,4-phenylene]di(E)-2,1-ethenediyl]bis-, diethyl ester [ACD/Index Name]
Diethyl 4,4'-{[2,5-bis(octyloxy)-1,4-phenylene]di(E)-2,1-ethenediyl}dibenzoate [ACD/IUPAC Name]
Diethyl-4,4'-{[2,5-bis(octyloxy)-1,4-phenylen]di(E)-2,1-ethendiyl}dibenzoat [German] [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: 772.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 306.8±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 212.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 16.08
ACD/LogD (pH 5.5): 14.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 71 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 643.7±3.0 cm3

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